*HEADER    PROTEIN BINDING                         01-JUN-05   1ZV6              
*TITLE     NMR STRUCTURE OF THE HUMAN DEMATIN HEADPIECE S74E MUTANT              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: EPB49 PROTEIN;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 316-383;                                          
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PD48                                      
*KEYWDS    DEMATIN HEADPIECE, ACTIN BINDING DOMAIN, PHOSPHORYLATION              
*EXPDTA    NMR, 21 STRUCTURES                                                    
*AUTHOR    Z.G.JIANG, C.J.MCKNIGHT                                               
*REVDAT   2   04-APR-06 1ZV6    1 UPDATED CONSTRAINTS
*REVDAT   1   21-MAR-06 1ZV6    0                                                

!! NOE constraints
assign (resi  11 and name HB1) (resid 12 and name HN)     3.44  1.64  0.36    !
assign (resid 11 and name HA)  (resid 12 and name HN)     2.47  0.67  0.33    !
assign (resid 11 and name HN)  (resid 11 and name HB1)    3.51  1.71  0.29    !
assign (resid 11 and name HN)  (resid 11 and name HB2)    2.98  1.18  0.82    !
assign (resid 11 and name HN)  (resid 11 and name HG)     3.63  1.83  0.17    !
assign (resid 11 and name HN)  (resid 11 and name HA)     3.64  1.84  0.16    !
assign (resid 11 and name HB1) (resid 41 and name HE1)    3.70  1.90  0.10    !
assign (resid 11 and name HA)  (resid 11 and name HB2)    3.25  1.45  0.55    !
assign (resid 11 and name HB2) (resid 11 and name HB1)    3.41  1.61  0.39    !
assign (resid 12 and name HN)  (resid 13 and name HN)     3.81  2.01  1.19    !
assign (resid 12 and name HN)  (resid 12 and name HB2)    3.03  1.23  0.77    !
assign (resid 12 and name HB1) (resid 13 and name HN)     3.47  1.67  0.33    !
assign (resid 12 and name HA)  (resid 13 and name HN)     2.53  0.73  0.27    !
assign (resid 12 and name HA)  (resid 12 and name HB1)    3.26  1.46  0.54    !
assign (resid 12 and name HN)  (resid 12 and name HA)     3.16  1.36  0.64    !
assign (resid 12 and name HA)  (resid 13 and name HB)     4.40  2.60  0.60    !
assign (resid 12 and name HN)  (resid 12 and name HB1)    3.66  1.86  0.14    !
assign (resid 13 and name HN)  (resid 13 and name HB)     2.86  1.06  0.94    !
assign (resid 13 and name HB)  (resid 14 and name HN)     4.05  2.25  0.95    !
assign (resid 13 and name HA)  (resid 14 and name HN)     3.24  1.44  0.56    !
assign (resid 13 and name HN)  (resid 13 and name HA)     3.96  2.16  1.04    !
assign (resid 14 and name HB2) (resid 14 and name HB1)    3.07  1.27  0.73    !
assign (resid 14 and name HN)  (resid 14 and name HA)     3.62  1.82  0.18    !
assign (resid 14 and name HN)  (resid 14 and name HB2)    4.05  2.25  0.95    !
assign (resid 14 and name HN)  (resid 14 and name HB1)    3.69  1.89  0.11    !
assign (resid 15 and name HA)  (resid 17 and name HN)     4.04  2.24  0.96    !
assign (resid 15 and name HA)  (resid 16 and name HN)     2.72  0.92  0.08    !
assign (resid 15 and name HD2) (resid 15 and name HD1)    3.09  1.29  0.71    !
assign (resid 16 and name HN)  (resid 16 and name HA)     3.26  1.46  0.54    !
assign (resid 16 and name HN)  (resid 16 and name HB1)    2.97  1.17  0.83    !
assign (resid 16 and name HN)  (resid 16 and name HB2)    3.01  1.21  0.79    !
assign (resid 16 and name HB2) (resid 17 and name HN)     3.64  1.84  0.16    !
assign (resid 16 and name HN)  (resid 17 and name HN)     3.39  1.59  0.41    !
assign (resid 16 and name HA)  (resid 16 and name HB1)    3.34  1.54  0.46    !
assign (resid 16 and name HA)  (resid 16 and name HB2)    3.42  1.62  0.38    !
assign (resid 16 and name HA)  (resid 19 and name HN)     4.09  2.29  0.91    !
assign (resid 16 and name HA)  (resid 17 and name HN)     3.76  1.96  0.04    !
assign (resid 16 and name HB1) (resid 17 and name HN)     3.29  1.49  0.51    !
assign (resid 16 and name HB2) (resid 16 and name HB1)    3.40  1.60  0.40    !
assign (resid 17 and name HA)  (resid 19 and name HN)     4.06  2.26  0.94    !
assign (resid 17 and name HA)  (resid 20 and name HB)     3.56  1.76  0.24    !
assign (resid 17 and name HN)  (resid 19 and name HN)     4.10  2.30  0.90    !
assign (resid 17 and name HA)  (resid 18 and name HN)     4.00  2.20  1.00    !
assign (resid 17 and name HN)  (resid 18 and name HN)     3.20  1.40  0.60    !
assign (resid 17 and name HN)  (resid 17 and name HB2)    3.32  1.52  0.48    !
assign (resid 17 and name HN)  (resid 17 and name HA)     2.80  1.00  1.00    !
assign (resid 18 and name HN)  (resid 18 and name HA)     3.48  1.68  0.32    !
assign (resid 18 and name HN)  (resid 19 and name HN)     3.00  1.20  0.80    !
assign (resid 19 and name HN)  (resid 19 and name HB2)    3.46  1.66  0.34    !
assign (resid 19 and name HN)  (resid 19 and name HA)     3.64  1.84  0.16    !
assign (resid 19 and name HA)  (resid 19 and name HB1)    4.27  2.47  0.73    !
assign (resid 19 and name HB1) (resid 19 and name HB2)    2.80  1.00  1.00    !
assign (resid 19 and name HN)  (resid 19 and name HG)     3.20  1.40  0.60    !
assign (resid 19 and name HA)  (resid 19 and name HB2)    3.86  2.06  1.14    !
assign (resid 19 and name HG)  (resid 19 and name HB2)    2.86  1.06  0.94    !
assign (resid 19 and name HN)  (resid 20 and name HN)     3.75  1.95  0.05    !
assign (resid 19 and name HN)  (resid 19 and name HB1)    3.78  1.98  0.02    !
assign (resid 20 and name HN)  (resid 20 and name HB)     3.75  1.95  0.05    !
assign (resid 20 and name HB)  (resid 21 and name HN)     3.73  1.93  0.07    !
assign (resid 20 and name HA)  (resid 20 and name HB)     3.44  1.64  0.36    !
assign (resid 20 and name HA)  (resid 21 and name HN)     3.12  1.32  0.68    !
assign (resid 20 and name HN)  (resid 24 and name HB1)    4.15  2.35  0.85    !
assign (resid 21 and name HN)  (resid 21 and name HB)     3.56  1.76  0.24    !
assign (resid 21 and name HB)  (resid 22 and name HN)     3.61  1.81  0.19    !
assign (resid 21 and name HN)  (resid 22 and name HN)     3.56  1.76  0.24    !
assign (resid 21 and name HA)  (resid 21 and name HB)     3.23  1.43  0.57    !
assign (resid 21 and name HA)  (resid 22 and name HN)     3.57  1.77  0.23    !
assign (resid 21 and name HN)  (resid 21 and name HA)     3.42  1.62  0.38    !
assign (resid 22 and name HN)  (resid 23 and name HN)     3.47  1.67  0.33    !
assign (resid 22 and name HB)  (resid 22 and name HG21)   2.64  0.84  0.16    !
assign (resid 22 and name HG21)(resid 23 and name HN)     3.95  2.15  1.05    !
assign (resid 23 and name HB1) (resid 24 and name HN)     4.15  2.35  0.85    !
assign (resid 23 and name HA)  (resid 23 and name HB1)    3.14  1.34  0.66    !
assign (resid 23 and name HA)  (resid 24 and name HN)     3.40  1.60  0.40    !
assign (resid 23 and name HN)  (resid 23 and name HA)     3.19  1.39  0.61    !
assign (resid 23 and name HD21)(resid 23 and name HB1)    3.53  1.73  0.27    !
assign (resid 23 and name HN)  (resid 23 and name HB1)    3.17  1.37  0.63    !
assign (resid 23 and name HB2) (resid 23 and name HB1)    2.75  0.95  0.05    !
assign (resid 23 and name HN)  (resid 24 and name HN)     3.65  1.85  0.15    !
assign (resid 23 and name HN)  (resid 23 and name HB2)    3.57  1.77  0.23    !
assign (resid 24 and name HN)  (resid 24 and name HB2)    3.48  1.68  0.32    !
assign (resid 24 and name HA)  (resid 24 and name HB1)    3.30  1.50  0.50    !
assign (resid 24 and name HN)  (resid 24 and name HA)     3.31  1.51  0.49    !
assign (resid 24 and name HA)  (resid 25 and name HN)     3.40  1.60  0.40    !
assign (resid 24 and name HA)  (resid 24 and name HB2)    3.43  1.63  0.37    !
assign (resid 24 and name HN)  (resid 24 and name HB1)    3.32  1.52  0.48    !
assign (resid 24 and name HB2) (resid 24 and name HB1)    2.75  0.95  0.05    !
assign (resid 26 and name HN)  (resid 26 and name HB1)    3.19  1.39  0.61    !
assign (resid 26 and name HN)  (resid 26 and name HB2)    3.35  1.55  0.45    !
assign (resid 26 and name HN)  (resid 26 and name HA)     3.17  1.37  0.63    !
assign (resid 26 and name HB1) (resid 27 and name HN)     4.51  2.71  0.49    !
assign (resid 26 and name HA)  (resid 26 and name HB2)    3.53  1.73  0.27    !
assign (resid 26 and name HA)  (resid 26 and name HB1)    3.18  1.38  0.62    !
assign (resid 26 and name HN)  (resid 27 and name HN)     3.99  2.19  1.01    !
assign (resid 26 and name HA)  (resid 26 and name HB1)    3.04  1.24  0.76    !
assign (resid 26 and name HN)  (resid 28 and name HB2)    3.78  1.98  0.02    !
assign (resid 27 and name HN)  (resid 27 and name HA)     2.93  1.13  0.87    !
assign (resid 27 and name HB)  (resid 28 and name HN)     3.32  1.52  0.48    !
assign (resid 27 and name HN)  (resid 27 and name HB)     4.06  2.26  0.94    !
assign (resid 27 and name HN)  (resid 27 and name HG21)   3.39  1.59  0.41    !
assign (resid 28 and name HB1) (resid 29 and name HN)     4.19  2.39  0.81    !
assign (resid 28 and name HN)  (resid 28 and name HB1)    3.11  1.31  0.69    !
assign (resid 28 and name HN)  (resid 28 and name HB2)    3.17  1.37  0.63    !
assign (resid 28 and name HN)  (resid 28 and name HA)     2.52  0.72  0.28    !
assign (resid 28 and name HA)  (resid 29 and name HN)     2.92  1.12  0.88    !
assign (resid 28 and name HA)  (resid 28 and name HB1)    3.34  1.54  0.46    !
assign (resid 28 and name HB2) (resid 29 and name HN)     3.44  1.64  0.36    !
assign (resid 28 and name HB2) (resid 28 and name HB1)    2.93  1.13  0.87    !
assign (resid 28 and name HN)  (resid 29 and name HN)     3.27  1.47  0.53    !
assign (resid 29 and name HN)  (resid 29 and name HB2)    3.68  1.88  0.12    !
assign (resid 29 and name HN)  (resid 29 and name HA)     3.03  1.23  0.77    !
assign (resid 29 and name HA)  (resid 29 and name HB1)    3.43  1.63  0.37    !
assign (resid 29 and name HA)  (resid 29 and name HB2)    3.49  1.69  0.31    !
assign (resid 29 and name HB1) (resid 29 and name HB2)    2.72  0.92  0.08    !
assign (resid 29 and name HG)  (resid 33 and name HA)     3.54  1.74  0.26    !
assign (resid 29 and name HG)  (resid 29 and name HB2)    3.91  2.11  1.09    !
assign (resid 29 and name HN)  (resid 29 and name HG)     2.95  1.15  0.85    !
assign (resid 29 and name HN)  (resid 29 and name HB1)    3.41  1.61  0.39    !
assign (resid 30 and name HD1) (resid 30 and name HD2)    2.70  0.90  0.10    !
assign (resid 31 and name HA)  (resid 32 and name HN)     2.88  1.08  0.92    !
assign (resid 32 and name HN)  (resid 33 and name HN)     3.36  1.56  0.44    !
assign (resid 33 and name HN)  (resid 34 and name HN)     4.31  2.51  0.69    !
assign (resid 33 and name HA)  (resid 41 and name HE1)    3.76  1.96  0.04    !
assign (resid 33 and name HA)  (resid 38 and name HG)     4.23  2.43  0.77    !
assign (resid 33 and name HN)  (resid 33 and name HB)     2.95  1.15  0.85    !
assign (resid 33 and name HA)  (resid 41 and name HD2)    4.56  2.76  0.44    !
assign (resid 33 and name HA)  (resid 33 and name HB)     3.47  1.67  0.33    !
assign (resid 33 and name HN)  (resid 33 and name HA)     3.28  1.48  0.52    !
assign (resid 33 and name HB)  (resid 34 and name HN)     3.71  1.91  0.09    !
assign (resid 34 and name HB2) (resid 34 and name HB1)    2.68  0.88  0.12    !
assign (resid 34 and name HN)  (resid 34 and name HB1)    3.37  1.57  0.43    !
assign (resid 34 and name HN)  (resid 34 and name HA)     3.71  1.91  0.09    !
assign (resid 34 and name HA)  (resid 34 and name HB1)    3.63  1.83  0.17    !
assign (resid 34 and name HA)  (resid 35 and name HN)     2.70  0.90  0.10    !
assign (resid 34 and name HA)  (resid 36 and name HN)     3.86  2.06  1.14    !
assign (resid 34 and name HN)  (resid 35 and name HN)     3.87  2.07  1.13    !
assign (resid 34 and name HN)  (resid 34 and name HB2)    3.33  1.53  0.47    !
assign (resid 35 and name HN)  (resid 35 and name HA)     3.05  1.25  0.75    !
assign (resid 35 and name HN)  (resid 37 and name HN)     4.02  2.22  0.98    !
assign (resid 35 and name HA)  (resid 36 and name HN)     3.77  1.97  0.03    !
assign (resid 35 and name HN)  (resid 36 and name HN)     2.99  1.19  0.81    !
assign (resid 35 and name HA)  (resid 38 and name HN)     3.77  1.97  0.03    !
assign (resid 36 and name HN)  (resid 36 and name HA)     3.37  1.57  0.43    !
assign (resid 36 and name HN)  (resid 37 and name HN)     3.24  1.44  0.56    !
assign (resid 36 and name HA)  (resid 37 and name HN)     3.96  2.16  1.04    !
assign (resid 37 and name HN)  (resid 37 and name HB1)    3.61  1.81  0.19    !
assign (resid 37 and name HN)  (resid 37 and name HA)     3.81  2.01  1.19    !
assign (resid 37 and name HB1) (resid 40 and name HN)     4.32  2.52  0.68    !
assign (resid 37 and name HA)  (resid 38 and name HN)     3.47  1.67  0.33    !
assign (resid 37 and name HN)  (resid 37 and name HB2)    4.03  2.23  0.97    !
assign (resid 37 and name HN)  (resid 38 and name HN)     3.23  1.43  0.57    !
assign (resid 38 and name HN)  (resid 38 and name HA)     4.04  2.24  0.96    !
assign (resid 38 and name HN)  (resid 38 and name HG)     3.60  1.80  0.20    !
assign (resid 38 and name HN)  (resid 39 and name HN)     3.44  1.64  0.36    !
assign (resid 38 and name HA)  (resid 39 and name HN)     3.88  2.08  1.12    !
assign (resid 39 and name HN)  (resid 40 and name HN)     2.95  1.15  0.85    !
assign (resid 39 and name HN)  (resid 39 and name HA)     2.89  1.09  0.91    !
assign (resid 39 and name HA)  (resid 75 and name HB2)    3.92  2.12  1.08    !
assign (resid 39 and name HA)  (resid 39 and name HB1)    3.32  1.52  0.48    !
assign (resid 39 and name HN)  (resid 39 and name HB2)    3.47  1.67  0.33    !
assign (resid 39 and name HN)  (resid 39 and name HB1)    3.05  1.25  0.75    !
assign (resid 40 and name HA)  (resid 41 and name HN)     3.74  1.94  0.06    !
assign (resid 40 and name HN)  (resid 42 and name HN)     4.08  2.28  0.92    !
assign (resid 40 and name HN)  (resid 41 and name HB1)    4.47  2.67  0.53    !
assign (resid 40 and name HN)  (resid 40 and name HA)     3.06  1.26  0.74    !
assign (resid 41 and name HA)  (resid 41 and name HB1)    3.61  1.81  0.19    !
assign (resid 41 and name HN)  (resid 42 and name HN)     3.05  1.25  0.75    !
assign (resid 41 and name HN)  (resid 41 and name HB2)    3.81  2.01  1.19    !
assign (resid 41 and name HA)  (resid 42 and name HN)     3.61  1.81  0.19    !
assign (resid 41 and name HN)  (resid 41 and name HA)     3.61  1.81  0.19    !
assign (resid 41 and name HB2) (resid 41 and name HB1)    3.09  1.29  0.71    !
assign (resid 41 and name HN)  (resid 41 and name HB1)    3.67  1.87  0.13    !
assign (resid 42 and name HB2) (resid 47 and name HN)     3.60  1.80  0.20    !
assign (resid 42 and name HB1) (resid 42 and name HB2)    3.67  1.87  0.13    !
assign (resid 42 and name HN)  (resid 42 and name HB2)    3.40  1.60  0.40    !
assign (resid 42 and name HN)  (resid 42 and name HG)     3.19  1.39  0.61    !
assign (resid 42 and name HN)  (resid 42 and name HB1)    3.15  1.35  0.65    !
assign (resid 42 and name HB1) (resid 42 and name HD2#)   3.77  1.97  0.03    !
assign (resid 42 and name HB1) (resid 47 and name HN)     3.92  2.12  1.08    !
assign (resid 42 and name HA)  (resid 43 and name HN)     3.04  1.24  0.76    !
assign (resid 42 and name HB1) (resid 42 and name HG)     3.50  1.70  0.30    !
assign (resid 42 and name HN)  (resid 42 and name HA)     3.80  2.00  1.20    !
assign (resid 43 and name HA)  (resid 44 and name HN)     2.53  0.73  0.27    !
assign (resid 43 and name HN)  (resid 46 and name HN)     4.15  2.35  0.85    !
assign (resid 43 and name HB2) (resid 43 and name HB1)    3.06  1.26  0.74    !
assign (resid 43 and name HN)  (resid 44 and name HN)     3.94  2.14  1.06    !
assign (resid 43 and name HN)  (resid 46 and name HB2)    3.79  1.99  0.01    !
assign (resid 43 and name HN)  (resid 46 and name HB1)    3.78  1.98  0.02    !
assign (resid 43 and name HN)  (resid 43 and name HA)     3.32  1.52  0.48    !
assign (resid 44 and name HA)  (resid 48 and name HN)     3.71  1.91  0.09    !
assign (resid 44 and name HN)  (resid 44 and name HA)     3.11  1.31  0.69    !
assign (resid 44 and name HN)  (resid 44 and name HB1)    2.36  0.56  0.44    !
assign (resid 44 and name HN)  (resid 45 and name HN)     2.89  1.09  0.91    !
assign (resid 44 and name HA)  (resid 47 and name HN)     3.16  1.36  0.64    !
assign (resid 45 and name HN)  (resid 45 and name HB1)    2.89  1.09  0.91    !
assign (resid 45 and name HA)  (resid 45 and name HB2)    2.85  1.05  0.95    !
assign (resid 45 and name HA)  (resid 45 and name HB1)    3.21  1.41  0.59    !
assign (resid 45 and name HB2) (resid 46 and name HA)     3.37  1.57  0.43    !
assign (resid 45 and name HN)  (resid 46 and name HN)     3.12  1.32  0.68    !
assign (resid 45 and name HN)  (resid 47 and name HN)     3.93  2.13  1.07    !
assign (resid 45 and name HB2) (resid 46 and name HN)     3.36  1.56  0.44    !
assign (resid 45 and name HA)  (resid 49 and name HN)     3.99  2.19  1.01    !
assign (resid 45 and name HB1) (resid 46 and name HN)     3.41  1.61  0.39    !
assign (resid 45 and name HA)  (resid 46 and name HN)     3.20  1.40  0.60    !
assign (resid 46 and name HB1) (resid 46 and name HB2)    3.04  1.24  0.76    !
assign (resid 46 and name HB1) (resid 47 and name HN)     3.46  1.66  0.34    !
assign (resid 46 and name HN)  (resid 46 and name HA)     3.20  1.40  0.60    !
assign (resid 46 and name HA)  (resid 49 and name HN)     3.28  1.48  0.52    !
assign (resid 46 and name HB2) (resid 47 and name HN)     3.66  1.86  0.14    !
assign (resid 46 and name HN)  (resid 47 and name HN)     3.04  1.24  0.76    !
assign (resid 46 and name HB1) (resid 47 and name HA)     4.22  2.42  0.78    !
assign (resid 46 and name HN)  (resid 46 and name HB1)    3.15  1.35  0.65    !
assign (resid 46 and name HA)  (resid 47 and name HN)     3.83  2.03  1.17    !
assign (resid 46 and name HN)  (resid 46 and name HB2)    3.76  1.96  0.04    !
assign (resid 47 and name HN)  (resid 48 and name HN)     3.43  1.63  0.37    !
assign (resid 47 and name HZ)  (resid 55 and name HA)     3.22  1.42  0.58    !
assign (resid 47 and name HZ)  (resid 58 and name HB1)    3.29  1.49  0.51    !
assign (resid 47 and name HZ)  (resid 58 and name HB2)    3.24  1.44  0.56    !
assign (resid 47 and name HZ)  (resid 58 and name HN)     3.53  1.73  0.27    !
assign (resid 47 and name HN)  (resid 47 and name HA)     2.99  1.19  0.81    !
assign (resid 47 and name HN)  (resid 49 and name HN)     3.83  2.03  1.17    !
assign (resid 47 and name HA)  (resid 48 and name HN)     3.78  1.98  0.02    !
assign (resid 47 and name HA)  (resid 50 and name HB)     3.50  1.70  0.30    !
assign (resid 48 and name HN)  (resid 49 and name HN)     2.89  1.09  0.91    !
assign (resid 48 and name HN)  (resid 48 and name HA)     2.77  0.97  0.03    !
assign (resid 48 and name HA)  (resid 51 and name HN)     3.64  1.84  0.16    !
assign (resid 48 and name HA)  (resid 49 and name HN)     3.31  1.51  0.49    !
assign (resid 48 and name HA)  (resid 53 and name HN)     2.70  0.90  0.10    !
assign (resid 49 and name HA)  (resid 50 and name HN)     3.59  1.79  0.21    !
assign (resid 49 and name HN)  (resid 50 and name HN)     2.94  1.14  0.86    !
assign (resid 49 and name HN)  (resid 50 and name HB)     3.92  2.12  1.08    !
assign (resid 49 and name HN)  (resid 50 and name HA)     3.89  2.09  1.11    !
assign (resid 49 and name HN)  (resid 49 and name HA)     2.82  1.02  0.98    !
assign (resid 49 and name HN)  (resid 51 and name HN)     3.97  2.17  1.03    !
assign (resid 50 and name HN)  (resid 50 and name HB)     2.82  1.02  0.98    !
assign (resid 50 and name HA)  (resid 50 and name HB)     3.09  1.29  0.71    !
assign (resid 50 and name HN)  (resid 50 and name HA)     2.94  1.14  0.86    !
assign (resid 50 and name HB)  (resid 51 and name HN)     3.19  1.39  0.61    !
assign (resid 50 and name HA)  (resid 51 and name HN)     3.61  1.81  0.19    !
assign (resid 51 and name HN)  (resid 51 and name HA)     3.33  1.53  0.47    !
assign (resid 51 and name HN)  (resid 52 and name HN)     3.33  1.53  0.47    !
assign (resid 51 and name HN)  (resid 52 and name HN)     3.20  1.40  0.60    !
assign (resid 51 and name HB1) (resid 52 and name HN)     3.74  1.94  0.06    !
assign (resid 51 and name HA)  (resid 52 and name HN)     3.69  1.89  0.11    !
assign (resid 51 and name HN)  (resid 52 and name HA)     4.04  2.24  0.96    !
assign (resid 51 and name HB2) (resid 51 and name HB1)    2.93  1.13  0.87    !
assign (resid 51 and name HB1) (resid 53 and name HN)     4.08  2.28  0.92    !
assign (resid 51 and name HZ)  (resid 70 and name HA)     3.17  1.37  0.63    !
assign (resid 51 and name HN)  (resid 53 and name HN)     3.87  2.07  1.13    !
assign (resid 51 and name HB2) (resid 53 and name HN)     3.78  1.98  0.02    !
assign (resid 51 and name HN)  (resid 51 and name HB2)    3.79  1.99  0.01    !
assign (resid 51 and name HA)  (resid 51 and name HB1)    3.44  1.64  0.36    !
assign (resid 51 and name HN)  (resid 51 and name HB1)    3.30  1.50  0.50    !
assign (resid 52 and name HB1) (resid 53 and name HN)     3.24  1.44  0.56    !
assign (resid 52 and name HN)  (resid 52 and name HA)     2.98  1.18  0.82    !
assign (resid 52 and name HA)  (resid 53 and name HN)     3.28  1.48  0.52    !
assign (resid 52 and name HN)  (resid 52 and name HB1)    3.26  1.46  0.54    !
assign (resid 52 and name HN)  (resid 53 and name HN)     2.95  1.15  0.85    !
assign (resid 53 and name HN)  (resid 53 and name HB1)    4.06  2.26  0.94    !
assign (resid 53 and name HN)  (resid 54 and name HN)     3.96  2.16  1.04    !
assign (resid 53 and name HN)  (resid 53 and name HA)     3.23  1.43  0.57    !
assign (resid 53 and name HB2) (resid 53 and name HB1)    3.46  1.66  0.34    !
assign (resid 53 and name HB1) (resid 54 and name HN)     3.76  1.96  0.04    !
assign (resid 53 and name HN)  (resid 53 and name HE1)    3.73  1.93  0.07    !
assign (resid 53 and name HN)  (resid 53 and name HB2)    3.67  1.87  0.13    !
assign (resid 53 and name HB2) (resid 54 and name HN)     3.40  1.60  0.40    !
assign (resid 53 and name HA)  (resid 54 and name HN)     3.50  1.70  0.30    !
assign (resid 54 and name HN)  (resid 57 and name HB2)    3.83  2.03  1.17    !
assign (resid 54 and name HN)  (resid 57 and name HN)     3.88  2.08  1.12    !
assign (resid 54 and name HN)  (resid 58 and name HN)     4.00  2.20  1.00    !
assign (resid 54 and name HN)  (resid 57 and name HB1)    3.27  1.47  0.53    !
assign (resid 54 and name HN)  (resid 54 and name HA)     4.19  2.39  0.81    !
assign (resid 55 and name HA)  (resid 56 and name HN)     3.51  1.71  0.29    !
assign (resid 55 and name HA)  (resid 58 and name HN)     3.53  1.73  0.27    !
assign (resid 56 and name HA)  (resid 56 and name HB2)    3.45  1.65  0.35    !
assign (resid 56 and name HA)  (resid 56 and name HB1)    3.41  1.61  0.39    !
assign (resid 56 and name HN)  (resid 57 and name HN)     3.18  1.38  0.62    !
assign (resid 56 and name HA)  (resid 59 and name HN)     3.65  1.85  0.15    !
assign (resid 56 and name HB1) (resid 57 and name HN)     3.60  1.80  0.20    !
assign (resid 56 and name HA)  (resid 57 and name HN)     4.05  2.25  0.95    !
assign (resid 56 and name HB2) (resid 56 and name HB1)    2.91  1.11  0.89    !
assign (resid 56 and name HN)  (resid 56 and name HB1)    3.36  1.56  0.44    !
assign (resid 56 and name HN)  (resid 56 and name HB2)    2.96  1.16  0.84    !
assign (resid 56 and name HB2) (resid 57 and name HN)     3.88  2.08  1.12    !
assign (resid 56 and name HN)  (resid 56 and name HA)     2.84  1.04  0.96    !
assign (resid 57 and name HN)  (resid 57 and name HB1)    3.59  1.79  0.21    !
assign (resid 57 and name HN)  (resid 57 and name HA)     3.01  1.21  0.79    !
assign (resid 57 and name HA)  (resid 60 and name HN)     3.87  2.07  1.13    !
assign (resid 57 and name HB1) (resid 58 and name HN)     3.74  1.94  0.06    !
assign (resid 57 and name HN)  (resid 58 and name HN)     3.18  1.38  0.62    !
assign (resid 57 and name HB2) (resid 58 and name HN)     3.89  2.09  1.11    !
assign (resid 57 and name HA)  (resid 58 and name HN)     3.32  1.52  0.48    !
assign (resid 57 and name HN)  (resid 57 and name HB2)    3.19  1.39  0.61    !
assign (resid 57 and name HA)  (resid 57 and name HB2)    3.85  2.05  1.15    !
assign (resid 57 and name HA)  (resid 57 and name HB1)    3.59  1.79  0.21    !
assign (resid 57 and name HB1) (resid 57 and name HB2)    3.23  1.43  0.57    !
assign (resid 58 and name HZ)  (resid 70 and name HN)     3.74  1.94  0.06    !
assign (resid 58 and name HZ)  (resid 70 and name HA)     3.74  1.94  0.06    !
assign (resid 58 and name HZ)  (resid 66 and name HA)     3.47  1.67  0.33    !
assign (resid 58 and name HZ)  (resid 69 and name HB2)    3.93  2.13  1.07    !
assign (resid 58 and name HZ)  (resid 66 and name HB2)    3.86  2.06  1.14    !
assign (resid 58 and name HA)  (resid 61 and name HG)     3.21  1.41  0.59    !
assign (resid 58 and name HA)  (resid 58 and name HB1)    3.43  1.63  0.37    !
assign (resid 58 and name HN)  (resid 59 and name HN)     2.96  1.16  0.84    !
assign (resid 58 and name HA)  (resid 61 and name HB1)    3.75  1.95  0.05    !
assign (resid 58 and name HN)  (resid 58 and name HB1)    2.87  1.07  0.93    !
assign (resid 58 and name HN)  (resid 58 and name HA)     3.15  1.35  0.65    !
assign (resid 58 and name HN)  (resid 58 and name HB2)    2.96  1.16  0.84    !
assign (resid 58 and name HB1) (resid 59 and name HN)     3.51  1.71  0.29    !
assign (resid 58 and name HA)  (resid 61 and name HN)     4.22  2.42  0.78    !
assign (resid 58 and name HB2) (resid 58 and name HB1)    3.15  1.35  0.65    !
assign (resid 58 and name HB2) (resid 59 and name HN)     3.38  1.58  0.42    !
assign (resid 58 and name HA)  (resid 59 and name HN)     3.67  1.87  0.13    !
assign (resid 59 and name HN)  (resid 60 and name HN)     3.07  1.27  0.73    !
assign (resid 60 and name HN)  (resid 60 and name HB1)    3.05  1.25  0.75    !
assign (resid 60 and name HA)  (resid 60 and name HB2)    3.05  1.25  0.75    !
assign (resid 60 and name HN)  (resid 61 and name HG)     3.80  2.00  0.00    !
assign (resid 60 and name HA)  (resid 60 and name HB1)    3.85  2.05  1.15    !
assign (resid 60 and name HN)  (resid 60 and name HB2)    3.23  1.43  0.57    !
assign (resid 60 and name HA)  (resid 61 and name HN)     4.08  2.28  0.92    !
assign (resid 60 and name HN)  (resid 60 and name HA)     3.08  1.28  0.72    !
assign (resid 60 and name HB2) (resid 60 and name HB1)    2.60  0.80  0.20    !
assign (resid 60 and name HN)  (resid 61 and name HN)     2.82  1.02  0.98    !
assign (resid 61 and name HN)  (resid 62 and name HN)     3.63  1.83  0.17    !
assign (resid 61 and name HB2) (resid 62 and name HN)     3.63  1.83  0.17    !
assign (resid 61 and name HA)  (resid 61 and name HG)     3.88  2.08  1.12    !
assign (resid 61 and name HN)  (resid 61 and name HG)     2.89  1.09  0.91    !
assign (resid 61 and name HN)  (resid 61 and name HA)     3.09  1.29  0.71    !
assign (resid 61 and name HN)  (resid 61 and name HB2)    3.38  1.58  0.42    !
assign (resid 61 and name HB1) (resid 61 and name HB2)    3.00  1.20  0.80    !
assign (resid 61 and name HN)  (resid 61 and name HB1)    3.06  1.26  0.74    !
assign (resid 61 and name HA)  (resid 61 and name HB2)    3.12  1.32  0.68    !
assign (resid 61 and name HB1) (resid 62 and name HN)     3.25  1.45  0.55    !
assign (resid 62 and name HB1) (resid 63 and name HN)     2.88  1.08  0.92    !
assign (resid 62 and name HB1) (resid 65 and name HN)     2.97  1.17  0.83    !
assign (resid 62 and name HN)  (resid 63 and name HN)     3.90  2.10  1.10    !
assign (resid 62 and name HB1) (resid 64 and name HN)     2.95  1.15  0.85    !
assign (resid 62 and name HN)  (resid 62 and name HA)     2.92  1.12  0.88    !
assign (resid 62 and name HN)  (resid 62 and name HB1)    2.38  0.58  0.42    !
assign (resid 62 and name HA)  (resid 63 and name HN)     2.90  1.10  0.90    !
assign (resid 62 and name HA)  (resid 64 and name HN)     3.90  2.10  1.10    !
assign (resid 62 and name HB1) (resid 64 and name HE1)    2.65  0.85  0.15    !
assign (resid 63 and name HA)  (resid 67 and name HN)     3.77  1.97  0.03    !
assign (resid 63 and name HN)  (resid 63 and name HA)     3.18  1.38  0.62    !
assign (resid 63 and name HB1) (resid 64 and name HN)     3.05  1.25  0.75    !
assign (resid 63 and name HB2) (resid 64 and name HN)     3.05  1.25  0.75    !
assign (resid 63 and name HA)  (resid 64 and name HN)     3.68  1.88  0.12    !
assign (resid 63 and name HB2) (resid 63 and name HB1)    2.84  1.04  0.96    !
assign (resid 63 and name HN)  (resid 64 and name HN)     3.26  1.46  0.54    !
assign (resid 63 and name HA)  (resid 63 and name HB1)    3.46  1.66  0.34    !
assign (resid 63 and name HA)  (resid 63 and name HG)     3.52  1.72  0.28    !
assign (resid 63 and name HA)  (resid 63 and name HB2)    3.86  2.06  1.14    !
assign (resid 63 and name HA)  (resid 66 and name HN)     3.65  1.85  0.15    !
assign (resid 63 and name HN)  (resid 63 and name HB1)    2.78  0.98  0.02    !
assign (resid 63 and name HN)  (resid 64 and name HD1)    4.11  2.31  0.89    !
assign (resid 63 and name HN)  (resid 63 and name HB2)    3.49  1.69  0.31    !
assign (resid 63 and name HB2) (resid 63 and name HG)     2.34  0.54  0.46    !
assign (resid 64 and name HH2) (resid 64 and name HZ3)    2.37  0.57  0.43    !
assign (resid 64 and name HZ3) (resid 65 and name HA)     3.62  1.82  0.18    !
assign (resid 64 and name HA)  (resid 67 and name HN)     3.39  1.59  0.41    !
assign (resid 64 and name HZ2) (resid 64 and name HZ3)    3.40  1.60  0.40    !
assign (resid 64 and name HE1) (resid 64 and name HN)     3.60  1.80  0.20    !
assign (resid 64 and name HN)  (resid 64 and name HA)     2.71  0.91  0.09    !
assign (resid 64 and name HN)  (resid 65 and name HN)     2.95  1.15  0.85    !
assign (resid 64 and name HN)  (resid 64 and name HE3)    3.67  1.87  0.13    !
assign (resid 64 and name HN)  (resid 64 and name HD1)    2.62  0.82  0.18    !
assign (resid 64 and name HB2) (resid 64 and name HB1)    2.69  0.89  0.11    !
assign (resid 64 and name HA)  (resid 67 and name HB2)    3.42  1.62  0.38    !
assign (resid 64 and name HN)  (resid 66 and name HN)     4.08  2.28  0.92    !
assign (resid 64 and name HD1) (resid 65 and name HN)     3.46  1.66  0.34    !
assign (resid 64 and name HE3) (resid 64 and name HA)     3.62  1.82  0.18    !
assign (resid 64 and name HA)  (resid 68 and name HN)     3.68  1.88  0.12    !
assign (resid 64 and name HZ2) (resid 64 and name HH2)    2.83  1.03  0.97    !
assign (resid 64 and name HE3) (resid 64 and name HZ3)    2.53  0.73  0.27    !
assign (resid 65 and name HA)  (resid 69 and name HN)     3.97  2.17  1.03    !
assign (resid 65 and name HN)  (resid 65 and name HA)     3.14  1.34  0.66    !
assign (resid 65 and name HA)  (resid 68 and name HN)     3.16  1.36  0.64    !
assign (resid 65 and name HB2) (resid 65 and name HB1)    2.71  0.91  0.09    !
assign (resid 65 and name HA)  (resid 67 and name HN)     4.06  2.26  0.94    !
assign (resid 65 and name HA)  (resid 66 and name HN)     3.52  1.72  0.28    !
assign (resid 65 and name HN)  (resid 67 and name HN)     3.69  1.89  0.11    !
assign (resid 65 and name HN)  (resid 66 and name HN)     2.78  0.98  0.02    !
assign (resid 66 and name HE)  (resid 66 and name HB2)    3.58  1.78  0.22    !
assign (resid 66 and name HA)  (resid 66 and name HB2)    3.24  1.44  0.56    !
assign (resid 66 and name HA)  (resid 67 and name HN)     3.60  1.80  0.20    !
assign (resid 66 and name HB2) (resid 67 and name HN)     3.66  1.86  0.14    !
assign (resid 66 and name HN)  (resid 67 and name HN)     2.93  1.13  0.87    !
assign (resid 66 and name HN)  (resid 66 and name HB2)    3.43  1.63  0.37    !
assign (resid 66 and name HA)  (resid 66 and name HB1)    3.32  1.52  0.48    !
assign (resid 66 and name HG2) (resid 66 and name HG1)    3.13  1.33  0.67    !
assign (resid 66 and name HN)  (resid 66 and name HB1)    3.16  1.36  0.64    !
assign (resid 66 and name HA)  (resid 69 and name HN)     3.77  1.97  0.03    !
assign (resid 66 and name HB1) (resid 67 and name HN)     3.34  1.54  0.46    !
assign (resid 67 and name HN)  (resid 68 and name HN)     2.90  1.10  0.90    !
assign (resid 67 and name HN)  (resid 69 and name HN)     3.99  2.19  1.01    !
assign (resid 67 and name HA)  (resid 71 and name HN)     4.00  2.20  1.00    !
assign (resid 67 and name HB1) (resid 67 and name HB2)    2.78  0.98  0.02    !
assign (resid 67 and name HA)  (resid 70 and name HN)     3.52  1.72  0.28    !
assign (resid 67 and name HB2) (resid 68 and name HN)     3.94  2.14  1.06    !
assign (resid 67 and name HN)  (resid 67 and name HA)     3.10  1.30  0.70    !
assign (resid 67 and name HB1) (resid 68 and name HN)     3.59  1.79  0.21    !
assign (resid 67 and name HN)  (resid 67 and name HB2)    3.13  1.33  0.67    !
assign (resid 67 and name HN)  (resid 67 and name HB1)    3.01  1.21  0.79    !
assign (resid 67 and name HA)  (resid 67 and name HB2)    3.65  1.85  0.15    !
assign (resid 67 and name HA)  (resid 68 and name HN)     3.83  2.03  1.17    !
assign (resid 68 and name HA)  (resid 72 and name HN)     3.91  2.11  1.09    !
assign (resid 68 and name HN)  (resid 70 and name HN)     3.82  2.02  1.18    !
assign (resid 68 and name HN)  (resid 68 and name HA)     2.83  1.03  0.97    !
assign (resid 68 and name HA)  (resid 69 and name HN)     3.49  1.69  0.31    !
assign (resid 68 and name HN)  (resid 69 and name HN)     2.90  1.10  0.90    !
assign (resid 68 and name HN)  (resid 71 and name HB2)    3.76  1.96  0.04    !
assign (resid 68 and name HA)  (resid 70 and name HN)     3.82  2.02  1.18    !
assign (resid 68 and name HA)  (resid 71 and name HN)     3.28  1.48  0.52    !
assign (resid 69 and name HN)  (resid 69 and name HB2)    3.22  1.42  0.58    !
assign (resid 69 and name HA)  (resid 72 and name HN)     3.58  1.78  0.22    !
assign (resid 69 and name HN)  (resid 69 and name HG)     2.79  0.99  0.01    !
assign (resid 69 and name HA)  (resid 70 and name HN)     3.87  2.07  1.13    !
assign (resid 69 and name HA)  (resid 71 and name HN)     3.53  1.73  0.27    !
assign (resid 69 and name HN)  (resid 69 and name HB1)    3.41  1.61  0.39    !
assign (resid 69 and name HB1) (resid 70 and name HN)     3.34  1.54  0.46    !
assign (resid 69 and name HG)  (resid 70 and name HN)     3.57  1.77  0.23    !
assign (resid 69 and name HA)  (resid 69 and name HB2)    3.07  1.27  0.73    !
assign (resid 69 and name HN)  (resid 69 and name HA)     3.26  1.46  0.54    !
assign (resid 69 and name HN)  (resid 71 and name HN)     3.99  2.19  1.01    !
assign (resid 69 and name HN)  (resid 70 and name HN)     3.00  1.20  0.80    !
assign (resid 69 and name HA)  (resid 69 and name HB1)    3.61  1.81  0.19    !
assign (resid 69 and name HB1) (resid 69 and name HG)     2.79  0.99  0.01    !
assign (resid 69 and name HA)  (resid 69 and name HG)     3.23  1.43  0.57    !
assign (resid 69 and name HB1) (resid 69 and name HB2)    3.02  1.22  0.78    !
assign (resid 70 and name HN)  (resid 70 and name HA)     3.77  1.97  0.03    !
assign (resid 70 and name HN)  (resid 70 and name HB2)    3.50  1.70  0.30    !
assign (resid 70 and name HN)  (resid 71 and name HN)     3.01  1.21  0.79    !
assign (resid 70 and name HN)  (resid 70 and name HB1)    3.26  1.46  0.54    !
assign (resid 70 and name HB1) (resid 71 and name HN)     3.73  1.93  0.07    !
assign (resid 70 and name HA)  (resid 75 and name HB2)    3.69  1.89  0.11    !
assign (resid 71 and name HN)  (resid 71 and name HB1)    2.97  1.17  0.83    !
assign (resid 71 and name HA)  (resid 76 and name HB1)    3.23  1.43  0.57    !
assign (resid 71 and name HA)  (resid 72 and name HN)     3.08  1.28  0.72    !
assign (resid 71 and name HA)  (resid 76 and name HB2)    3.94  2.14  1.06    !
assign (resid 71 and name HN)  (resid 76 and name HB1)    3.74  1.94  0.06    !
assign (resid 71 and name HA)  (resid 71 and name HB2)    3.15  1.35  0.65    !
assign (resid 71 and name HN)  (resid 76 and name HB2)    3.76  1.96  0.04    !
assign (resid 71 and name HN)  (resid 71 and name HB2)    2.98  1.18  0.82    !
assign (resid 71 and name HN)  (resid 71 and name HA)     3.53  1.73  0.27    !
assign (resid 71 and name HA)  (resid 76 and name HN)     3.41  1.61  0.39    !
assign (resid 71 and name HN)  (resid 73 and name HN)     3.86  2.06  1.14    !
assign (resid 71 and name HN)  (resid 72 and name HN)     2.93  1.13  0.87    !
assign (resid 71 and name HB1) (resid 72 and name HN)     3.27  1.47  0.53    !
assign (resid 72 and name HA)  (resid 74 and name HN)     4.09  2.29  0.91    !
assign (resid 72 and name HA)  (resid 72 and name HB1)    3.40  1.60  0.40    !
assign (resid 72 and name HA)  (resid 72 and name HB2)    3.26  1.46  0.54    !
assign (resid 72 and name HN)  (resid 73 and name HB1)    3.69  1.89  0.11    !
assign (resid 72 and name HA)  (resid 73 and name HN)     3.92  2.12  1.08    !
assign (resid 72 and name HN)  (resid 73 and name HN)     2.85  1.05  0.95    !
assign (resid 72 and name HN)  (resid 74 and name HN)     3.61  1.81  0.19    !
assign (resid 72 and name HN)  (resid 72 and name HA)     2.77  0.97  0.03    !
assign (resid 72 and name HN)  (resid 72 and name HB2)    2.95  1.15  0.85    !
assign (resid 73 and name HA)  (resid 74 and name HN)     3.01  1.21  0.79    !
assign (resid 73 and name HN)  (resid 74 and name HN)     2.92  1.12  0.88    !
assign (resid 73 and name HN)  (resid 75 and name HN)     4.06  2.26  0.94    !
assign (resid 73 and name HA)  (resid 73 and name HB1)    3.06  1.26  0.74    !
assign (resid 73 and name HB1) (resid 74 and name HN)     3.51  1.71  0.29    !
assign (resid 73 and name HN)  (resid 73 and name HA)     3.44  1.64  0.36    !
assign (resid 74 and name HN)  (resid 75 and name HN)     3.04  1.24  0.76    !
assign (resid 74 and name HA)  (resid 75 and name HN)     3.31  1.51  0.49    !
assign (resid 74 and name HN)  (resid 74 and name HA)     3.12  1.32  0.68    !
assign (resid 75 and name HN)  (resid 76 and name HN)     2.97  1.17  0.83    !
assign (resid 75 and name HN)  (resid 75 and name HB1)    3.87  2.07  1.13    !
assign (resid 75 and name HN)  (resid 75 and name HB2)    3.56  1.76  0.24    !
assign (resid 75 and name HB1) (resid 75 and name HB2)    3.60  1.80  0.20    !
assign (resid 75 and name HA)  (resid 76 and name HN)     3.97  2.17  1.03    !
assign (resid 75 and name HN)  (resid 75 and name HA)     3.93  2.13  1.07    !
assign (resid 75 and name HN)  (resid 75 and name HG)     4.02  2.22  0.98    !
assign (resid 75 and name HG)  (resid 75 and name HB2)    3.52  1.72  0.28    !
assign (resid 76 and name HA)  (resid 76 and name HB1)    3.12  1.32  0.68    !
assign (resid 76 and name HB2) (resid 76 and name HB1)    2.74  0.94  0.06    !
assign (resid 76 and name HN)  (resid 76 and name HB1)    3.28  1.48  0.52    !
assign (resid 76 and name HN)  (resid 76 and name HA)     3.24  1.44  0.56    !
assign (resid 76 and name HN)  (resid 76 and name HB2)    3.20  1.40  0.60    !
assign (resid 13 and name HA)  (resid 13 and name HG11)   3.18  1.38  0.62    !
assign (resid 13 and name HA)  (resid 13 and name HG12)   3.28  1.48  0.52    !
assign (resid 14 and name HA)  (resid 14 and name HB2)    3.15  1.35  0.65    !
assign (resid 14 and name HA)  (resid 14 and name HB1)    3.20  1.40  0.60    !
assign (resid 23 and name HA)  (resid 23 and name HB2)    3.01  1.21  0.79    !
assign (resid 23 and name HA)  (resid 23 and name HB1)    2.68  0.88  0.12    !
assign (resid 34 and name HA)  (resid 34 and name HB2)    3.04  1.24  0.76    !
assign (resid 37 and name HA)  (resid 37 and name HB1)    3.00  1.20  0.80    !
assign (resid 39 and name HA)  (resid 39 and name HB2)    2.50  0.70  0.30    !
assign (resid 41 and name HA)  (resid 41 and name HB2)    3.08  1.28  0.72    !
assign (resid 42 and name HA)  (resid 42 and name HB1)    3.25  1.45  0.55    !
assign (resid 42 and name HA)  (resid 42 and name HB2)    3.11  1.31  0.69    !
assign (resid 42 and name HA)  (resid 42 and name HG)     3.32  1.52  0.48    !
assign (resid 46 and name HA)  (resid 46 and name HB2)    3.56  1.76  0.24    !
assign (resid 46 and name HA)  (resid 46 and name HB1)    3.15  1.35  0.65    !
assign (resid 51 and name HA)  (resid 51 and name HB2)    3.10  1.30  0.70    !
assign (resid 52 and name HA)  (resid 52 and name HB1)    3.07  1.27  0.73    !
assign (resid 53 and name HA)  (resid 53 and name HB2)    2.71  0.91  0.09    !
assign (resid 53 and name HA)  (resid 57 and name HB2)    3.43  1.63  0.37    !
assign (resid 53 and name HA)  (resid 53 and name HB1)    2.66  0.86  0.14    !
assign (resid 57 and name HA)  (resid 57 and name HB1)    3.17  1.37  0.63    !
assign (resid 58 and name HZ)  (resid 69 and name HB1)    3.50  1.70  0.30    !
assign (resid 61 and name HA)  (resid 61 and name HB1)    3.20  1.40  0.60    !
assign (resid 64 and name HA)  (resid 67 and name HB1)    3.05  1.25  0.75    !
assign (resid 67 and name HA)  (resid 67 and name HB1)    3.15  1.35  0.65    !
assign (resid 67 and name HA)  (resid 70 and name HB2)    3.39  1.59  0.41    !
assign (resid 70 and name HA)  (resid 70 and name HB1)    3.38  1.58  0.42    !
assign (resid 75 and name HA)  (resid 75 and name HG)     3.33  1.53  0.47    !
assign (resid 75 and name HA)  (resid 75 and name HB1)    3.60  1.80  0.20    !
assign (resid 75 and name HA)  (resid 75 and name HB2)    3.11  1.31  0.69    !
assign (resid 76 and name HB2) (resid 76 and name HB1)    2.61  0.81  0.19    !
assign (resid 76 and name HA)  (resid 76 and name HB2)    3.09  1.29  0.71    !
assign (resid  9 and name HA)  (resid  9 and name HB#)    3.72  1.92  0.08    !
assign (resid  9 and name HB#) (resid  9 and name HB#)    4.20  2.40  0.80    !
assign (resid 10 and name HA#) (resid 11 and name HB2)    3.85  2.05  1.15    !
assign (resid 10 and name HA#) (resid 11 and name HN)     3.33  1.53  0.47    !
assign (resid 11 and name HD2#)(resid 41 and name HE1)    3.66  1.86  0.14    !
assign (resid 11 and name HN)  (resid 11 and name HD2#)   4.25  2.45  0.75    !
assign (resid 11 and name HA)  (resid 11 and name HD1#)   3.60  1.80  0.20    !
assign (resid 11 and name HA)  (resid 11 and name HD2#)   3.08  1.28  0.72    !
assign (resid 11 and name HN)  (resid 11 and name HD1#)   4.18  2.38  0.82    !
assign (resid 11 and name HD1#)(resid 12 and name HN)     4.27  2.47  0.73    !
assign (resid 11 and name HD1#)(resid 40 and name HD#)    3.74  1.94  0.06    !
assign (resid 11 and name HD2#)(resid 40 and name HD#)    4.48  2.68  0.52    !
assign (resid 11 and name HB1) (resid 11 and name HD1#)   3.44  1.64  0.36    !
assign (resid 11 and name HB1) (resid 11 and name HD2#)   3.95  2.15  1.05    !
assign (resid 11 and name HB2) (resid 11 and name HD1#)   3.72  1.92  0.08    !
assign (resid 11 and name HD2#)(resid 12 and name HN)     3.95  2.15  1.05    !
assign (resid 11 and name HG)  (resid 11 and name HD2#)   3.48  1.68  0.32    !
assign (resid 11 and name HG)  (resid 11 and name HD1#)   4.10  2.30  0.90    !
assign (resid 11 and name HD1#)(resid 41 and name HE1)    3.63  1.83  0.17    !
assign (resid 12 and name HB2) (resid 33 and name HG2#)   3.84  2.04  1.16    !
assign (resid 12 and name HA)  (resid 12 and name HG#)    4.04  2.24  0.96    !
assign (resid 12 and name HG#) (resid 14 and name HE#)    4.30  2.50  0.70    !
assign (resid 12 and name HN)  (resid 41 and name HE#)    3.87  2.07  1.13    !
assign (resid 12 and name HB2) (resid 14 and name HD#)    3.62  1.82  0.18    !
assign (resid 12 and name HN)  (resid 12 and name HG#)    3.96  2.16  1.04    !
assign (resid 12 and name HB#) (resid 14 and name HE#)    3.68  1.88  0.12    !
assign (resid 12 and name HE2#)(resid 12 and name HE2#)   2.16  0.36  0.64    !
assign (resid 12 and name HE2#)(resid 12 and name HG#)    4.07  2.27  0.93    !
assign (resid 12 and name HB1) (resid 14 and name HE#)    3.27  1.47  0.53    !
assign (resid 12 and name HN)  (resid 12 and name HG#)    4.18  2.38  0.82    !
assign (resid 12 and name HG#) (resid 12 and name HB1)    4.06  2.26  0.94    !
assign (resid 13 and name HB)  (resid 13 and name HD1#)   3.48  1.68  0.32    !
assign (resid 13 and name HG1#)(resid 13 and name HD1#)   3.17  1.37  0.63    !
assign (resid 13 and name HG1#)(resid 13 and name HD1#)   3.22  1.42  0.58    !
assign (resid 13 and name HG2#)(resid 13 and name HD1#)   2.87  1.07  0.93    !
assign (resid 13 and name HD1#)(resid 43 and name HN)     4.12  2.32  0.88    !
assign (resid 13 and name HD1#)(resid 42 and name HN)     4.24  2.44  0.76    !
assign (resid 13 and name HG2#)(resid 43 and name HB#)    3.55  1.75  0.25    !
assign (resid 13 and name HB)  (resid 13 and name HG1#)   3.42  1.62  0.38    !
assign (resid 13 and name HG1#)(resid 13 and name HG2#)   3.37  1.57  0.43    !
assign (resid 13 and name HB)  (resid 13 and name HG2#)   2.96  1.16  0.84    !
assign (resid 13 and name HG1#)(resid 13 and name HG2#)   3.50  1.70  0.30    !
assign (resid 13 and name HG2#)(resid 43 and name HA)     3.12  1.32  0.68    !
assign (resid 13 and name HD1#)(resid 43 and name HA)     3.18  1.38  0.62    !
assign (resid 13 and name HG2#)(resid 44 and name HN)     3.71  1.91  0.09    !
assign (resid 13 and name HD1#)(resid 44 and name HN)     4.08  2.28  0.92    !
assign (resid 13 and name HG2#)(resid 14 and name HN)     3.25  1.45  0.55    !
assign (resid 13 and name HD1#)(resid 14 and name HN)     3.88  2.08  1.12    !
assign (resid 13 and name HG2#)(resid 43 and name HN)     3.28  1.48  0.52    !
assign (resid 13 and name HN)  (resid 13 and name HD1#)   3.91  2.11  1.09    !
assign (resid 13 and name HB)  (resid 13 and name HG1#)   3.33  1.53  0.47    !
assign (resid 13 and name HG12)(resid 13 and name HG11)   2.91  1.11  0.89    !
assign (resid 13 and name HN)  (resid 13 and name HG2#)   3.52  1.72  0.28    !
assign (resid 13 and name HN)  (resid 13 and name HG1#)   3.52  1.72  0.28    !
assign (resid 13 and name HN)  (resid 13 and name HG1#)   3.72  1.92  0.08    !
assign (resid 14 and name HE#) (resid 30 and name HB#)    4.14  2.34  0.86    !
assign (resid 14 and name HN)  (resid 14 and name HD#)    3.56  1.76  0.24    !
assign (resid 14 and name HB2) (resid 15 and name HD#)    3.91  2.11  1.09    !
assign (resid 14 and name HE#) (resid 33 and name HG2#)   3.09  1.29  0.71    !
assign (resid 14 and name HE#) (resid 33 and name HG1#)   3.36  1.56  0.44    !
assign (resid 14 and name HD#) (resid 14 and name HB1)    3.18  1.38  0.62    !
assign (resid 14 and name HE#) (resid 19 and name HD1#)   4.56  2.76  0.44    !
assign (resid 14 and name HB1) (resid 19 and name HD1#)   3.96  2.16  1.04    !
assign (resid 14 and name HD#) (resid 14 and name HB2)    3.09  1.29  0.71    !
assign (resid 14 and name HD#) (resid 41 and name HB1)    3.83  2.03  1.17    !
assign (resid 14 and name HE#) (resid 14 and name HB1)    4.44  2.64  0.56    !
assign (resid 14 and name HD#) (resid 15 and name HD#)    4.05  2.25  0.95    !
assign (resid 14 and name HD#) (resid 15 and name HD#)    4.43  2.63  0.57    !
assign (resid 14 and name HD#) (resid 14 and name HA)     3.33  1.53  0.47    !
assign (resid 14 and name HD#) (resid 14 and name HE#)    2.52  0.72  0.28    !
assign (resid 14 and name HE#) (resid 19 and name HD2#)   4.02  2.22  0.98    !
assign (resid 14 and name HB2) (resid 19 and name HD2#)   3.75  1.95  0.05    !
assign (resid 14 and name HB#) (resid 19 and name HD2#)   3.58  1.78  0.22    !
assign (resid 14 and name HB2) (resid 19 and name HG)     4.18  2.38  0.82    !
assign (resid 14 and name HN)  (resid 19 and name HD1#)   4.10  2.30  0.90    !
assign (resid 14 and name HD#) (resid 33 and name HG1#)   3.61  1.81  0.19    !
assign (resid 14 and name HD#) (resid 33 and name HG2#)   3.48  1.68  0.32    !
assign (resid 14 and name HB2) (resid 19 and name HD1#)   4.26  2.46  0.74    !
assign (resid 14 and name HD#) (resid 19 and name HD2#)   3.17  1.37  0.63    !
assign (resid 14 and name HD#) (resid 19 and name HD1#)   3.48  1.68  0.32    !
assign (resid 14 and name HD#) (resid 41 and name HB2)    4.03  2.23  0.97    !
assign (resid 14 and name HE#) (resid 30 and name HB#)    3.93  2.13  1.07    !
assign (resid 15 and name HB#) (resid 16 and name HN)     3.92  2.12  1.08    !
assign (resid 15 and name HB#) (resid 15 and name HG#)    3.46  1.66  0.34    !
assign (resid 15 and name HG#) (resid 18 and name HN)     4.04  2.24  0.96    !
assign (resid 15 and name HA)  (resid 15 and name HB#)    3.17  1.37  0.63    !
assign (resid 15 and name HD#) (resid 15 and name HG#)    3.82  2.02  1.18    !
assign (resid 15 and name HD#) (resid 15 and name HG#)    3.97  2.17  1.03    !
assign (resid 15 and name HB#) (resid 18 and name HG#)    3.40  1.60  0.40    !
assign (resid 15 and name HB1) (resid 15 and name HB2)    2.89  1.09  0.91    !
assign (resid 15 and name HB#) (resid 17 and name HN)     4.41  2.61  0.59    !
assign (resid 15 and name HB#) (resid 15 and name HG#)    3.50  1.70  0.30    !
assign (resid 15 and name HB#) (resid 18 and name HN)     4.25  2.45  0.75    !
assign (resid 15 and name HG#) (resid 18 and name HG#)    4.06  2.26  0.94    !
assign (resid 15 and name HG#) (resid 15 and name HB#)    4.26  2.46  0.74    !
assign (resid 15 and name HB#) (resid 16 and name HN)     3.60  1.80  0.20    !
assign (resid 15 and name HD#) (resid 15 and name HG#)    3.68  1.88  0.12    !
assign (resid 15 and name HB#) (resid 18 and name HN)     3.80  2.00  0.00    !
assign (resid 16 and name HB2) (resid 50 and name HG2#)   4.09  2.29  0.91    !
assign (resid 16 and name HD#) (resid 17 and name HN)     3.31  1.51  0.49    !
assign (resid 16 and name HD#) (resid 42 and name HD2#)   2.94  1.14  0.86    !
assign (resid 16 and name HD#) (resid 75 and name HD#1)   3.04  1.24  0.76    !
assign (resid 16 and name HD#) (resid 42 and name HD#)    3.11  1.31  0.69    !
assign (resid 16 and name HD#) (resid 20 and name HG1#)   4.30  2.50  0.70    !
assign (resid 16 and name HD#) (resid 20 and name HG2#)   3.47  1.67  0.33    !
assign (resid 16 and name HE#) (resid 20 and name HG2#)   3.21  1.41  0.59    !
assign (resid 16 and name HD#) (resid 75 and name HD2#)   3.57  1.77  0.23    !
assign (resid 16 and name HE#) (resid 75 and name HB2)    4.07  2.27  0.93    !
assign (resid 16 and name HE#) (resid 20 and name HG1#)   3.51  1.71  0.29    !
assign (resid 16 and name HE#) (resid 75 and name HD2#)   3.61  1.81  0.19    !
assign (resid 16 and name HE#) (resid 75 and name HD1#)   2.91  1.11  0.89    !
assign (resid 16 and name HE#) (resid 42 and name HD1#)   3.63  1.83  0.17    !
assign (resid 16 and name HE#) (resid 73 and name HB#)    3.05  1.25  0.75    !
assign (resid 16 and name HD#) (resid 19 and name HD1#)   4.40  2.60  0.60    !
assign (resid 16 and name HD#) (resid 75 and name HG)     3.83  2.03  1.17    !
assign (resid 16 and name HE#) (resid 75 and name HG)     3.11  1.31  0.69    !
assign (resid 16 and name HD#) (resid 16 and name HB1)    3.16  1.36  0.64    !
assign (resid 16 and name HD#) (resid 16 and name HB2)    3.10  1.30  0.70    !
assign (resid 16 and name HD#) (resid 17 and name HA)     3.88  2.08  1.12    !
assign (resid 16 and name HN)  (resid 16 and name HD#)    3.37  1.57  0.43    !
assign (resid 16 and name HE#) (resid 16 and name HB2)    4.02  2.22  0.98    !
assign (resid 16 and name HD#) (resid 16 and name HE#)    2.54  0.74  0.26    !
assign (resid 16 and name HE#) (resid 75 and name HN)     4.48  2.68  0.52    !
assign (resid 16 and name HD#) (resid 16 and name HA)     3.00  1.20  0.80    !
assign (resid 16 and name HD#) (resid 50 and name HG1#)   3.78  1.98  0.02    !
assign (resid 16 and name HD#) (resid 17 and name HG#)    4.30  2.50  0.70    !
assign (resid 16 and name HE#) (resid 50 and name HG1#)   3.28  1.48  0.52    !
assign (resid 16 and name HB2) (resid 42 and name HD2#)   4.13  2.33  0.87    !
assign (resid 16 and name HD#) (resid 50 and name HG2#)   3.21  1.41  0.59    !
assign (resid 16 and name HA)  (resid 19 and name HD1#)   3.77  1.97  0.03    !
assign (resid 16 and name HB1) (resid 42 and name HD2#)   3.72  1.92  0.08    !
assign (resid 16 and name HE#) (resid 50 and name HG2#)   3.36  1.56  0.44    !
assign (resid 17 and name HA)  (resid 17 and name HG#)    3.44  1.64  0.36    !
assign (resid 17 and name HA)  (resid 20 and name HG1#)   3.77  1.97  0.03    !
assign (resid 17 and name HA)  (resid 17 and name HG#)    3.53  1.73  0.27    !
assign (resid 17 and name HG#) (resid 17 and name HB#)    4.15  2.35  0.85    !
assign (resid 17 and name HN)  (resid 17 and name HB#)    3.54  1.74  0.26    !
assign (resid 17 and name HG#) (resid 17 and name HB#)    3.07  1.27  0.73    !
assign (resid 17 and name HN)  (resid 17 and name HG#)    3.72  1.92  0.08    !
assign (resid 17 and name HG2) (resid 17 and name HG1)    3.19  1.39  0.61    !
assign (resid 17 and name HG#) (resid 17 and name HB#)    4.26  2.46  0.74    !
assign (resid 17 and name HN)  (resid 17 and name HG#)    3.59  1.79  0.21    !
assign (resid 17 and name HA)  (resid 17 and name HB#)    3.67  1.87  0.13    !
assign (resid 17 and name HA)  (resid 17 and name HB#)    3.77  1.97  0.03    !
assign (resid 17 and name HA)  (resid 20 and name HG2#)   3.21  1.41  0.59    !
assign (resid 18 and name HA)  (resid 18 and name HB#)    3.76  1.96  0.04    !
assign (resid 18 and name HN)  (resid 18 and name HG#)    4.26  2.46  0.74    !
assign (resid 18 and name HB#) (resid 19 and name HN)     4.61  2.81  0.39    !
assign (resid 18 and name HB#) (resid 19 and name HN)     4.26  2.46  0.74    !
assign (resid 18 and name HG#) (resid 18 and name HB#)    4.06  2.26  0.94    !
assign (resid 18 and name HN)  (resid 18 and name HB#)    3.66  1.86  0.14    !
assign (resid 18 and name HA)  (resid 18 and name HG#)    3.52  1.72  0.28    !
assign (resid 18 and name HN)  (resid 18 and name HB#)    4.04  2.24  0.96    !
assign (resid 18 and name HG2) (resid 18 and name HG1)    2.77  0.97  0.03    !
assign (resid 18 and name HN)  (resid 18 and name HG#)    4.45  2.65  0.55    !
assign (resid 18 and name HG#) (resid 18 and name HB#)    4.03  2.23  0.97    !
assign (resid 18 and name HA)  (resid 30 and name HD#)    4.40  2.60  0.60    !
assign (resid 18 and name HA)  (resid 18 and name HG#)    3.63  1.83  0.17    !
assign (resid 19 and name HD1#)(resid 41 and name HN)     3.95  2.15  1.05    !
assign (resid 19 and name HA)  (resid 19 and name HD2#)   3.05  1.25  0.75    !
assign (resid 19 and name HD2#)(resid 75 and name HD2#)   3.96  2.16  1.04    !
assign (resid 19 and name HD1#)(resid 41 and name HB1)    3.48  1.68  0.32    !
assign (resid 19 and name HN)  (resid 20 and name HG2#)   3.99  2.19  1.01    !
assign (resid 19 and name HD1#)(resid 75 and name HD2#)   3.86  2.06  1.14    !
assign (resid 19 and name HD2#)(resid 30 and name HD#)    4.24  2.44  0.76    !
assign (resid 19 and name HN)  (resid 19 and name HD2#)   3.61  1.81  0.19    !
assign (resid 19 and name HB2) (resid 30 and name HD#)    4.76  2.96  0.24    !
assign (resid 19 and name HA)  (resid 29 and name HD2#)   3.73  1.93  0.07    !
assign (resid 19 and name HD2#)(resid 41 and name HB1)    3.97  2.17  1.03    !
assign (resid 19 and name HD2#)(resid 41 and name HB2)    4.20  2.40  0.80    !
assign (resid 19 and name HB1) (resid 19 and name HD1#)   3.36  1.56  0.44    !
assign (resid 19 and name HB1) (resid 19 and name HD2#)   3.54  1.74  0.26    !
assign (resid 19 and name HD2#)(resid 30 and name HG#)    3.97  2.17  1.03    !
assign (resid 19 and name HD2#)(resid 30 and name HG#)    3.61  1.81  0.19    !
assign (resid 19 and name HB2) (resid 19 and name HD2#)   3.43  1.63  0.37    !
assign (resid 19 and name HD1#)(resid 38 and name HD2#)   3.65  1.85  0.15    !
assign (resid 19 and name HD1#)(resid 42 and name HD1#)   3.91  2.11  1.09    !
assign (resid 19 and name HD2#)(resid 38 and name HD2#)   3.49  1.69  0.31    !
assign (resid 19 and name HG)  (resid 19 and name HD1#)   3.23  1.43  0.57    !
assign (resid 19 and name HG)  (resid 19 and name HD2#)   3.20  1.40  0.60    !
assign (resid 19 and name HN)  (resid 19 and name HD1#)   3.72  1.92  0.08    !
assign (resid 19 and name HD2#)(resid 30 and name HD#)    4.41  2.61  0.59    !
assign (resid 19 and name HD1#)(resid 42 and name HN)     4.13  2.33  0.87    !
assign (resid 19 and name HD2#)(resid 33 and name HG2#)   3.47  1.67  0.33    !
assign (resid 19 and name HD2#)(resid 33 and name HG1#)   3.16  1.36  0.64    !
assign (resid 19 and name HB2) (resid 75 and name HD2#)   3.87  2.07  1.13    !
assign (resid 19 and name HA)  (resid 19 and name HD1#)   4.20  2.40  0.80    !
assign (resid 19 and name HD2#)(resid 41 and name HD#)    4.05  2.25  0.95    !
assign (resid 19 and name HD1#)(resid 41 and name HB2)    4.13  2.33  0.87    !
assign (resid 20 and name HB)  (resid 23 and name HD2#)   4.78  2.98  0.22    !
assign (resid 20 and name HG2#)(resid 74 and name HB#)    4.26  2.46  0.74    !
assign (resid 20 and name HB)  (resid 20 and name HG2#)   3.50  1.70  0.30    !
assign (resid 20 and name HG1#)(resid 21 and name HA)     4.08  2.28  0.92    !
assign (resid 20 and name HA)  (resid 20 and name HG2#)   3.14  1.34  0.66    !
assign (resid 20 and name HA)  (resid 21 and name HG2#)   4.73  2.93  0.27    !
assign (resid 20 and name HN)  (resid 20 and name HG2#)   3.99  2.19  1.01    !
assign (resid 20 and name HG1#)(resid 74 and name HA)     4.61  2.81  0.39    !
assign (resid 20 and name HG1#)(resid 22 and name HN)     3.94  2.14  1.06    !
assign (resid 20 and name HB)  (resid 20 and name HG1#)   3.04  1.24  0.76    !
assign (resid 20 and name HG1#)(resid 74 and name HB#)    3.83  2.03  1.17    !
assign (resid 20 and name HG2#)(resid 74 and name HB#)    3.92  2.12  1.08    !
assign (resid 20 and name HG1#)(resid 74 and name HB#)    3.66  1.86  0.14    !
assign (resid 20 and name HG2#)(resid 75 and name HD2#)   3.26  1.46  0.54    !
assign (resid 20 and name HG1#)(resid 22 and name HB)     4.26  2.46  0.74    !
assign (resid 20 and name HA)  (resid 75 and name HD2#)   3.51  1.71  0.29    !
assign (resid 20 and name HA)  (resid 20 and name HG1#)   3.15  1.35  0.65    !
assign (resid 20 and name HG1#)(resid 21 and name HN)     4.14  2.34  0.86    !
assign (resid 20 and name HG1#)(resid 23 and name HD2#)   4.40  2.60  0.60    !
assign (resid 20 and name HG2#)(resid 21 and name HN)     4.16  2.36  0.84    !
assign (resid 20 and name HN)  (resid 20 and name HG1#)   4.01  2.21  0.99    !
assign (resid 21 and name HN)  (resid 21 and name HG2#)   3.82  2.02  1.18    !
assign (resid 21 and name HB)  (resid 21 and name HG1#)   2.74  0.94  0.06    !
assign (resid 21 and name HA)  (resid 21 and name HG1#)   3.39  1.59  0.41    !
assign (resid 21 and name HN)  (resid 21 and name HG1#)   3.89  2.09  1.11    !
assign (resid 21 and name HG2#)(resid 76 and name HN)     4.13  2.33  0.87    !
assign (resid 21 and name HG2#)(resid 75 and name HG)     3.56  1.76  0.24    !
assign (resid 21 and name HB)  (resid 75 and name HD2#)   3.90  2.10  1.10    !
assign (resid 21 and name HG2#)(resid 75 and name HD2#)   3.90  2.10  1.10    !
assign (resid 21 and name HG2#)(resid 22 and name HN)     3.93  2.13  1.07    !
assign (resid 21 and name HA)  (resid 21 and name HG2#)   3.54  1.74  0.26    !
assign (resid 21 and name HG1#)(resid 22 and name HN)     3.88  2.08  1.12    !
assign (resid 21 and name HG1#)(resid 22 and name HB)     3.54  1.74  0.26    !
assign (resid 22 and name HN)  (resid 22 and name HG2#)   3.28  1.48  0.52    !
assign (resid 22 and name HA)  (resid 22 and name HG21)   2.90  1.10  0.90    !
assign (resid 23 and name HD2#)(resid 23 and name HB1)    4.04  2.24  0.96    !
assign (resid 23 and name HB1) (resid 24 and name HE#)    3.46  1.66  0.34    !
assign (resid 23 and name HD21)(resid 76 and name HN)     3.96  2.16  1.04    !
assign (resid 23 and name HD22)(resid 76 and name HN)     4.05  2.25  0.95    !
assign (resid 23 and name HD2#)(resid 24 and name HE#)    3.64  1.84  0.16    !
assign (resid 23 and name HD2#)(resid 23 and name HB2)    4.15  2.35  0.85    !
assign (resid 23 and name HD2#)(resid 23 and name HB2)    4.04  2.24  0.96    !
assign (resid 23 and name HB2) (resid 24 and name HD#)    3.79  1.99  0.01    !
assign (resid 24 and name HN)  (resid 24 and name HE#)    4.09  2.29  0.91    !
assign (resid 24 and name HN)  (resid 24 and name HG#)    3.95  2.15  1.05    !
assign (resid 24 and name HN)  (resid 24 and name HG#)    4.00  2.20  1.00    !
assign (resid 24 and name HE#) (resid 24 and name HD#)    3.35  1.55  0.45    !
assign (resid 24 and name HB2) (resid 24 and name HG#)    2.95  1.15  0.85    !
assign (resid 24 and name HA)  (resid 24 and name HG#)    4.44  2.64  0.56    !
assign (resid 24 and name HB1) (resid 24 and name HG#)    4.72  2.92  0.28    !
assign (resid 24 and name HE#) (resid 24 and name HG#)    3.96  2.16  1.04    !
assign (resid 24 and name HB2) (resid 24 and name HG#)    3.82  2.02  1.18    !
assign (resid 25 and name HN)  (resid 25 and name HA#)    3.41  1.61  0.39    !
assign (resid 25 and name HA#) (resid 26 and name HN)     3.97  2.17  1.03    !
assign (resid 25 and name HA#) (resid 26 and name HB1)    4.02  2.22  0.98    !
assign (resid 25 and name HN)  (resid 25 and name HA#)    3.28  1.48  0.52    !
assign (resid 26 and name HN)  (resid 28 and name HD#)    4.54  2.74  0.46    !
assign (resid 26 and name HA)  (resid 26 and name HG#)    3.27  1.47  0.53    !
assign (resid 26 and name HD#) (resid 26 and name HB1)    3.60  1.80  0.20    !
assign (resid 26 and name HD#) (resid 26 and name HB2)    3.39  1.59  0.41    !
assign (resid 26 and name HG#) (resid 27 and name HG2#)   4.37  2.57  0.63    !
assign (resid 26 and name HD#) (resid 28 and name HB1)    3.88  2.08  1.12    !
assign (resid 26 and name HD#) (resid 26 and name HG#)    3.43  1.63  0.37    !
assign (resid 26 and name HN)  (resid 26 and name HG#)    3.94  2.14  1.06    !
assign (resid 27 and name HA)  (resid 28 and name HD#)    3.62  1.82  0.18    !
assign (resid 27 and name HG2#)(resid 29 and name HN)     4.07  2.27  0.93    !
assign (resid 27 and name HG2#)(resid 28 and name HA)     3.27  1.47  0.53    !
assign (resid 27 and name HG2#)(resid 29 and name HD1#)   3.99  2.19  1.01    !
assign (resid 27 and name HG2#)(resid 29 and name HD2#)   3.42  1.62  0.38    !
assign (resid 28 and name HN)  (resid 28 and name HG#)    3.52  1.72  0.28    !
assign (resid 28 and name HA)  (resid 28 and name HG#)    3.66  1.86  0.14    !
assign (resid 28 and name HB2) (resid 28 and name HG#)    3.94  2.14  1.06    !
assign (resid 28 and name HD#) (resid 28 and name HG#)    3.58  1.78  0.22    !
assign (resid 29 and name HN)  (resid 29 and name HD1#)   3.58  1.78  0.22    !
assign (resid 29 and name HA)  (resid 29 and name HD2#)   2.98  1.18  0.82    !
assign (resid 29 and name HB1) (resid 30 and name HD#)    4.48  2.68  0.52    !
assign (resid 29 and name HA)  (resid 29 and name HD1#)   4.30  2.50  0.70    !
assign (resid 29 and name HB2) (resid 29 and name HD2#)   4.08  2.28  0.92    !
assign (resid 29 and name HB2) (resid 29 and name HD1#)   3.73  1.93  0.07    !
assign (resid 29 and name HG)  (resid 29 and name HD2#)   3.10  1.30  0.70    !
assign (resid 29 and name HG)  (resid 29 and name HD1#)   3.00  1.20  0.80    !
assign (resid 29 and name HD2#)(resid 30 and name HD#)    3.45  1.65  0.35    !
assign (resid 29 and name HD2#)(resid 30 and name HD#)    3.61  1.81  0.19    !
assign (resid 29 and name HB1) (resid 33 and name HG1#)   4.16  2.36  0.84    !
assign (resid 29 and name HB2) (resid 33 and name HG2#)   4.08  2.28  0.92    !
assign (resid 29 and name HB2) (resid 30 and name HD#)    4.20  2.40  0.80    !
assign (resid 29 and name HB2) (resid 33 and name HG1#)   3.92  2.12  1.08    !
assign (resid 29 and name HD2#)(resid 33 and name HG2#)   3.72  1.92  0.08    !
assign (resid 29 and name HD2#)(resid 33 and name HG1#)   3.41  1.61  0.39    !
assign (resid 29 and name HD1#)(resid 35 and name HD2)    4.05  2.25  0.95    !
assign (resid 29 and name HD1#)(resid 35 and name HD1)    4.37  2.57  0.63    !
assign (resid 29 and name HB1) (resid 29 and name HD1#)   3.39  1.59  0.41    !
assign (resid 29 and name HB2) (resid 30 and name HD#)    3.60  1.80  0.20    !
assign (resid 29 and name HN)  (resid 29 and name HD2#)   3.69  1.89  0.11    !
assign (resid 29 and name HA)  (resid 33 and name HG2#)   4.03  2.23  0.97    !
assign (resid 29 and name HA)  (resid 30 and name HD#)    2.99  1.19  0.81    !
assign (resid 29 and name HA)  (resid 30 and name HD#)    3.20  1.40  0.60    !
assign (resid 29 and name HB1) (resid 33 and name HG2#)   4.49  2.69  0.51    !
assign (resid 29 and name HB1) (resid 29 and name HD2#)   3.97  2.17  1.03    !
assign (resid 30 and name HA)  (resid 30 and name HB#)    3.41  1.61  0.39    !
assign (resid 30 and name HD#) (resid 33 and name HG2#)   3.79  1.99  0.01    !
assign (resid 30 and name HD#) (resid 33 and name HG1#)   4.27  2.47  0.73    !
assign (resid 30 and name HG#) (resid 33 and name HG1#)   3.94  2.14  1.06    !
assign (resid 30 and name HD#) (resid 30 and name HG#)    3.59  1.79  0.21    !
assign (resid 30 and name HG#) (resid 30 and name HB#)    4.21  2.41  0.79    !
assign (resid 30 and name HB2) (resid 30 and name HB1)    2.92  1.12  0.88    !
assign (resid 30 and name HG#) (resid 33 and name HG2#)   3.86  2.06  1.14    !
assign (resid 30 and name HG1) (resid 30 and name HG2)    2.90  1.10  0.90    !
assign (resid 30 and name HB#) (resid 30 and name HG#)    3.53  1.73  0.27    !
assign (resid 30 and name HD#) (resid 30 and name HG#)    3.66  1.86  0.14    !
assign (resid 30 and name HB#) (resid 30 and name HG#)    3.77  1.97  0.03    !
assign (resid 30 and name HD#) (resid 30 and name HG#)    3.85  2.05  1.15    !
assign (resid 30 and name HB#) (resid 31 and name HD#)    3.70  1.90  0.10    !
assign (resid 30 and name HD#) (resid 33 and name HG2#)   3.59  1.79  0.21    !
assign (resid 30 and name HB#) (resid 30 and name HG#)    3.34  1.54  0.46    !
assign (resid 30 and name HD#) (resid 33 and name HG1#)   3.98  2.18  1.02    !
assign (resid 30 and name HD#) (resid 30 and name HG#)    4.12  2.32  0.88    !
assign (resid 30 and name HD#) (resid 30 and name HB#)    4.47  2.67  0.53    !
assign (resid 30 and name HD#) (resid 30 and name HB#)    4.65  2.85  0.35    !
assign (resid 30 and name HB#) (resid 33 and name HG1#)   4.82  3.02  0.18    !
assign (resid 30 and name HB#) (resid 33 and name HG2#)   4.10  2.30  0.90    !
assign (resid 30 and name HG#) (resid 33 and name HG2#)   4.70  2.90  0.30    !
assign (resid 31 and name HB#) (resid 31 and name HG#)    3.67  1.87  0.13    !
assign (resid 31 and name HB1) (resid 31 and name HB2)    2.70  0.90  0.10    !
assign (resid 31 and name HD#) (resid 31 and name HG#)    4.08  2.28  0.92    !
assign (resid 31 and name HD#) (resid 31 and name HG#)    3.62  1.82  0.18    !
assign (resid 31 and name HA)  (resid 31 and name HB#)    3.00  1.20  0.80    !
assign (resid 31 and name HA)  (resid 31 and name HB#)    3.69  1.89  0.11    !
assign (resid 31 and name HB#) (resid 32 and name HN)     4.06  2.26  0.94    !
assign (resid 31 and name HD#) (resid 31 and name HG#)    3.90  2.10  1.10    !
assign (resid 32 and name HA#|)(resid 32 and name HA#)    3.67  1.87  0.13    !
assign (resid 32 and name HN)  (resid 32 and name HA#)    3.38  1.58  0.42    !
assign (resid 32 and name HN)  (resid 32 and name HA#)    3.61  1.81  0.19    !
assign (resid 33 and name HG2#)(resid 38 and name HD2#)   3.31  1.51  0.49    !
assign (resid 33 and name HA)  (resid 34 and name HN)     3.46  1.66  0.34    !
assign (resid 33 and name HG1#)(resid 41 and name HE1)    4.14  2.34  0.86    !
assign (resid 33 and name HG2#)(resid 41 and name HE1)    3.89  2.09  1.11    !
assign (resid 33 and name HB)  (resid 33 and name HG1#)   3.08  1.28  0.72    !
assign (resid 33 and name HB)  (resid 33 and name HG2#)   3.12  1.32  0.68    !
assign (resid 33 and name HG2#)(resid 34 and name HN)     3.97  2.17  1.03    !
assign (resid 33 and name HN)  (resid 33 and name HG1#)   3.31  1.51  0.49    !
assign (resid 33 and name HN)  (resid 33 and name HG2#)   3.03  1.23  0.77    !
assign (resid 33 and name HG1#)(resid 41 and name HD2)    3.98  2.18  1.02    !
assign (resid 33 and name HG2#)(resid 41 and name HD2)    4.31  2.51  0.69    !
assign (resid 33 and name HB)  (resid 41 and name HD2)    4.44  2.64  0.56    !
assign (resid 33 and name HA)  (resid 33 and name HG1#)   3.02  1.22  0.78    !
assign (resid 33 and name HA)  (resid 33 and name HG2#)   3.10  1.30  0.70    !
assign (resid 33 and name HG1#)(resid 34 and name HN)     3.53  1.73  0.27    !
assign (resid 33 and name HG1#)(resid 38 and name HD2#)   2.84  1.04  0.96    !
assign (resid 34 and name HN)  (resid 41 and name HE#)    4.02  2.22  0.98    !
assign (resid 34 and name HN)  (resid 35 and name HA)     3.91  2.11  1.09    !
assign (resid 34 and name HN)  (resid 41 and name HD#)    4.23  2.43  0.77    !
assign (resid 35 and name HA)  (resid 35 and name HB#)    3.61  1.81  0.19    !
assign (resid 35 and name HN)  (resid 36 and name HB#)    4.54  2.74  0.46    !
assign (resid 35 and name HA)  (resid 38 and name HD1#)   3.86  2.06  1.14    !
assign (resid 35 and name HN)  (resid 35 and name HG#)    3.89  2.09  1.11    !
assign (resid 35 and name HD#) (resid 35 and name HB#)    3.77  1.97  0.03    !
assign (resid 35 and name HD#) (resid 35 and name HG#)    4.26  2.46  0.74    !
assign (resid 35 and name HA)  (resid 38 and name HD2#)   3.03  1.23  0.77    !
assign (resid 35 and name HN)  (resid 35 and name HB#)    3.39  1.59  0.41    !
assign (resid 35 and name HG#) (resid 36 and name HN)     4.18  2.38  0.82    !
assign (resid 35 and name HA)  (resid 35 and name HD#)    3.87  2.07  1.13    !
assign (resid 35 and name HB#) (resid 36 and name HN)     4.00  2.20  1.00    !
assign (resid 35 and name HA)  (resid 35 and name HG#)    3.95  2.15  1.05    !
assign (resid 35 and name HG2) (resid 35 and name HG1)    3.41  1.61  0.39    !
assign (resid 35 and name HB#) (resid 36 and name HN)     4.07  2.27  0.93    !
assign (resid 35 and name HN)  (resid 35 and name HB#)    3.27  1.47  0.53    !
assign (resid 35 and name HN)  (resid 35 and name HG#)    4.00  2.20  1.00    !
assign (resid 35 and name HA)  (resid 35 and name HB#)    3.57  1.77  0.23    !
assign (resid 36 and name HA)  (resid 36 and name HG#)    3.91  2.11  1.09    !
assign (resid 36 and name HB#) (resid 37 and name HN)     3.92  2.12  1.08    !
assign (resid 36 and name HN)  (resid 36 and name HG#)    3.67  1.87  0.13    !
assign (resid 36 and name HN)  (resid 36 and name HB#)    3.57  1.77  0.23    !
assign (resid 36 and name HN)  (resid 36 and name HG#)    4.01  2.21  0.99    !
assign (resid 36 and name HG1) (resid 36 and name HG2)    2.79  0.99  0.01    !
assign (resid 36 and name HG#) (resid 36 and name HB#)    3.17  1.37  0.63    !
assign (resid 36 and name HA)  (resid 36 and name HB#)    3.59  1.79  0.21    !
assign (resid 36 and name HA)  (resid 36 and name HG#)    4.03  2.23  0.97    !
assign (resid 37 and name HD#) (resid 37 and name HG#)    3.25  1.45  0.55    !
assign (resid 37 and name HD#) (resid 37 and name HB1)    4.34  2.54  0.66    !
assign (resid 37 and name HG#) (resid 40 and name HD#)    4.22  2.42  0.78    !
assign (resid 37 and name HA)  (resid 39 and name HN)     4.19  2.39  0.81    !
assign (resid 37 and name HN)  (resid 37 and name HG#)    3.87  2.07  1.13    !
assign (resid 38 and name HN)  (resid 38 and name HD1#)   3.58  1.78  0.22    !
assign (resid 38 and name HN)  (resid 41 and name HD#)    4.18  2.38  0.82    !
assign (resid 38 and name HB#) (resid 39 and name HN)     3.77  1.97  0.03    !
assign (resid 38 and name HB#) (resid 38 and name HD1#)   3.02  1.22  0.78    !
assign (resid 38 and name HB#) (resid 39 and name HN)     3.72  1.92  0.08    !
assign (resid 38 and name HG)  (resid 38 and name HB#)    4.01  2.21  0.99    !
assign (resid 38 and name HA)  (resid 38 and name HB#)    4.18  2.38  0.82    !
assign (resid 38 and name HN)  (resid 38 and name HD2#)   3.42  1.62  0.38    !
assign (resid 38 and name HA)  (resid 41 and name HD#)    3.13  1.33  0.67    !
assign (resid 38 and name HB#) (resid 38 and name HD2#)   3.68  1.88  0.12    !
assign (resid 38 and name HD1#)(resid 38 and name HD2#)   2.81  1.01  0.99    !
assign (resid 38 and name HD2#)(resid 39 and name HN)     3.88  2.08  1.12    !
assign (resid 38 and name HN)  (resid 38 and name HB#)    3.56  1.76  0.24    !
assign (resid 38 and name HG)  (resid 38 and name HD2#)   3.82  2.02  1.18    !
assign (resid 38 and name HD2#)(resid 41 and name HD#)    3.37  1.57  0.43    !
assign (resid 38 and name HB#) (resid 38 and name HD1#)   3.63  1.83  0.17    !
assign (resid 38 and name HA)  (resid 38 and name HD2#)   3.01  1.21  0.79    !
assign (resid 38 and name HA)  (resid 38 and name HB#)    4.08  2.28  0.92    !
assign (resid 38 and name HB1) (resid 38 and name HB2)    3.61  1.81  0.19    !
assign (resid 38 and name HA)  (resid 38 and name HD1#)   4.04  2.24  0.96    !
assign (resid 38 and name HN)  (resid 38 and name HB#)    3.79  1.99  0.01    !
assign (resid 39 and name HA)  (resid 47 and name HE#)    3.97  2.17  1.03    !
assign (resid 39 and name HN)  (resid 75 and name HD1#)   3.63  1.83  0.17    !
assign (resid 39 and name HG#) (resid 39 and name HB1)    3.25  1.45  0.55    !
assign (resid 39 and name HA)  (resid 75 and name HD1#)   3.81  2.01  1.19    !
assign (resid 39 and name HG#) (resid 58 and name HE#)    3.72  1.92  0.08    !
assign (resid 39 and name HN)  (resid 42 and name HD1#)   3.70  1.90  0.10    !
assign (resid 39 and name HA)  (resid 51 and name HD#)    4.30  2.50  0.70    !
assign (resid 39 and name HB2) (resid 51 and name HE#)    4.45  2.65  0.55    !
assign (resid 39 and name HA)  (resid 51 and name HE#)    3.61  1.81  0.19    !
assign (resid 39 and name HG#) (resid 51 and name HE#)    3.78  1.98  0.02    !
assign (resid 39 and name HB1) (resid 51 and name HE#)    4.19  2.39  0.81    !
assign (resid 39 and name HG#) (resid 40 and name HN)     4.76  2.96  0.24    !
assign (resid 39 and name HG#) (resid 51 and name HZ)     4.37  2.57  0.63    !
assign (resid 39 and name HG#) (resid 58 and name HD#)    4.04  2.24  0.96    !
assign (resid 39 and name HN)  (resid 39 and name HG#)    3.78  1.98  0.02    !
assign (resid 39 and name HA)  (resid 42 and name HD1#)   3.10  1.30  0.70    !
assign (resid 39 and name HG#) (resid 47 and name HE#)    3.53  1.73  0.27    !
assign (resid 39 and name HG#) (resid 47 and name HE#)    4.26  2.46  0.74    !
assign (resid 39 and name HB2) (resid 47 and name HE#)    3.57  1.77  0.23    !
assign (resid 39 and name HB1) (resid 47 and name HE#)    3.75  1.95  0.05    !
assign (resid 39 and name HN)  (resid 47 and name HE#)    4.30  2.50  0.70    !
assign (resid 39 and name HN)  (resid 39 and name HG#)    3.80  2.00  0.00    !
assign (resid 40 and name HN)  (resid 40 and name HB#)    3.18  1.38  0.62    !
assign (resid 40 and name HD#) (resid 40 and name HB#)    3.68  1.88  0.12    !
assign (resid 40 and name HD#) (resid 40 and name HG#)    3.20  1.40  0.60    !
assign (resid 40 and name HN)  (resid 40 and name HG#)    4.03  2.23  0.97    !
assign (resid 40 and name HB#) (resid 42 and name HD1#)   3.99  2.19  1.01    !
assign (resid 40 and name HB#) (resid 40 and name HG#)    3.24  1.44  0.56    !
assign (resid 40 and name HA)  (resid 40 and name HB#)    3.29  1.49  0.51    !
assign (resid 40 and name HA)  (resid 40 and name HG#)    3.65  1.85  0.15    !
assign (resid 40 and name HG#) (resid 41 and name HN)     4.01  2.21  0.99    !
assign (resid 40 and name HB#) (resid 41 and name HD2)    4.36  2.56  0.64    !
assign (resid 40 and name HN)  (resid 41 and name HD#)    4.39  2.59  0.61    !
assign (resid 40 and name HN)  (resid 40 and name HG#)    4.14  2.34  0.86    !
assign (resid 41 and name HN)  (resid 41 and name HD2)    3.64  1.84  0.16    !
assign (resid 41 and name HD#) (resid 41 and name HB1)    3.93  2.13  1.07    !
assign (resid 42 and name HB2) (resid 42 and name HD2#)   4.26  2.46  0.74    !
assign (resid 42 and name HB2) (resid 43 and name HN)     3.84  2.04  1.16    !
assign (resid 42 and name HG)  (resid 42 and name HD2#)   3.30  1.50  0.50    !
assign (resid 42 and name HD1#)(resid 50 and name HG1#)   3.55  1.75  0.25    !
assign (resid 42 and name HD2#)(resid 46 and name HB1)    4.16  2.36  0.84    !
assign (resid 42 and name HD1#)(resid 43 and name HN)     4.55  2.75  0.45    !
assign (resid 42 and name HD1#)(resid 47 and name HB#)    4.00  2.20  1.00    !
assign (resid 42 and name HD1#)(resid 47 and name HN)     3.89  2.09  1.11    !
assign (resid 42 and name HD1#)(resid 50 and name HG2#)   3.36  1.56  0.44    !
assign (resid 42 and name HD1#)(resid 47 and name HA)     3.30  1.50  0.50    !
assign (resid 42 and name HB2) (resid 47 and name HD#)    3.54  1.74  0.26    !
assign (resid 42 and name HB2) (resid 42 and name HD1#)   3.85  2.05  1.15    !
assign (resid 42 and name HD1#)(resid 47 and name HD#)    3.19  1.39  0.61    !
assign (resid 42 and name HB2) (resid 42 and name HD1#)   3.37  1.57  0.43    !
assign (resid 42 and name HG)  (resid 42 and name HD1#)   2.99  1.19  0.81    !
assign (resid 42 and name HB1) (resid 42 and name HD1#)   3.49  1.69  0.31    !
assign (resid 42 and name HB1) (resid 47 and name HD#)    3.42  1.62  0.38    !
assign (resid 42 and name HD#) (resid 51 and name HD#)    3.39  1.59  0.41    !
assign (resid 42 and name HN)  (resid 42 and name HD1#)   3.55  1.75  0.25    !
assign (resid 42 and name HN)  (resid 42 and name HD2#)   3.80  2.00  0.00    !
assign (resid 42 and name HG)  (resid 51 and name HE#)    3.82  2.02  1.18    !
assign (resid 42 and name HD2#)(resid 42 and name HD1#)   2.71  0.91  0.09    !
assign (resid 42 and name HG)  (resid 47 and name HD#)    4.12  2.32  0.88    !
assign (resid 42 and name HD2#)(resid 47 and name HN)     4.41  2.61  0.59    !
assign (resid 42 and name HD#) (resid 51 and name HE#)    3.09  1.29  0.71    !
assign (resid 42 and name HD1#)(resid 47 and name HE#)    3.78  1.98  0.02    !
assign (resid 42 and name HD2#)(resid 43 and name HN)     3.43  1.63  0.37    !
assign (resid 43 and name HN)  (resid 43 and name HB#)    3.57  1.77  0.23    !
assign (resid 43 and name HA)  (resid 43 and name HB#)    2.97  1.17  0.83    !
assign (resid 43 and name HN)  (resid 43 and name HB#)    3.86  2.06  1.14    !
assign (resid 43 and name HB#) (resid 44 and name HN)     3.36  1.56  0.44    !
assign (resid 43 and name HB#) (resid 45 and name HN)     3.94  2.14  1.06    !
assign (resid 43 and name HB#) (resid 44 and name HN)     3.32  1.52  0.48    !
assign (resid 44 and name HA)  (resid 47 and name HB#)    3.81  2.01  1.19    !
assign (resid 44 and name HA)  (resid 44 and name HB#)    2.64  0.84  0.16    !
assign (resid 44 and name HA)  (resid 47 and name HD#)    4.10  2.30  0.90    !
assign (resid 44 and name HB#) (resid 55 and name HD#)    4.04  2.24  0.96    !
assign (resid 44 and name HA)  (resid 55 and name HD#)    4.03  2.23  0.97    !
assign (resid 44 and name HB#) (resid 45 and name HN)     2.91  1.11  0.89    !
assign (resid 44 and name HA)  (resid 47 and name HB#)    3.77  1.97  0.03    !
assign (resid 45 and name HA)  (resid 45 and name HG#)    3.49  1.69  0.31    !
assign (resid 45 and name HG#) (resid 46 and name HN)     4.01  2.21  0.99    !
assign (resid 45 and name HN)  (resid 45 and name HG#)    3.96  2.16  1.04    !
assign (resid 45 and name HG#) (resid 45 and name HB2)    3.56  1.76  0.24    !
assign (resid 45 and name HA)  (resid 48 and name HN)     3.93  2.13  1.07    !
assign (resid 45 and name HG#) (resid 45 and name HB1)    4.40  2.60  0.60    !
assign (resid 45 and name HN)  (resid 45 and name HB#)    3.26  1.46  0.54    !
assign (resid 45 and name HA)  (resid 45 and name HG#)    3.84  2.04  1.16    !
assign (resid 45 and name HN)  (resid 45 and name HG#)    4.22  2.42  0.78    !
assign (resid 45 and name HG#) (resid 45 and name HB2)    3.98  2.18  1.02    !
assign (resid 46 and name HB2) (resid 50 and name HG2#)   4.08  2.28  0.92    !
assign (resid 47 and name HE#) (resid 47 and name HZ)     2.77  0.97  0.03    !
assign (resid 47 and name HD#) (resid 51 and name HB1)    4.16  2.36  0.84    !
assign (resid 47 and name HE#) (resid 55 and name HD#)    3.96  2.16  1.04    !
assign (resid 47 and name HA)  (resid 51 and name HE#)    4.11  2.31  0.89    !
assign (resid 47 and name HD#) (resid 47 and name HE#)    2.65  0.85  0.15    !
assign (resid 47 and name HD#) (resid 51 and name HD#)    3.61  1.81  0.19    !
assign (resid 47 and name HD#) (resid 47 and name HZ)     3.75  1.95  0.05    !
assign (resid 47 and name HD#) (resid 47 and name HA)     3.25  1.45  0.55    !
assign (resid 47 and name HA)  (resid 50 and name HG2#)   4.00  2.20  1.00    !
assign (resid 47 and name HD#) (resid 47 and name HB#)    3.18  1.38  0.62    !
assign (resid 47 and name HE#) (resid 58 and name HD#)    3.47  1.67  0.33    !
assign (resid 47 and name HZ)  (resid 58 and name HD#)    3.28  1.48  0.52    !
assign (resid 47 and name HD#) (resid 47 and name HB#)    3.04  1.24  0.76    !
assign (resid 47 and name HD#) (resid 48 and name HN)     3.59  1.79  0.21    !
assign (resid 47 and name HB2) (resid 47 and name HB1)    3.10  1.30  0.70    !
assign (resid 47 and name HA)  (resid 47 and name HB#)    4.16  2.36  0.84    !
assign (resid 47 and name HE#) (resid 61 and name HD1#)   4.22  2.42  0.78    !
assign (resid 47 and name HA)  (resid 47 and name HB#)    3.66  1.86  0.14    !
assign (resid 47 and name HZ)  (resid 53 and name HE#)    3.89  2.09  1.11    !
assign (resid 47 and name HE#) (resid 69 and name HD1#)   4.06  2.26  0.94    !
assign (resid 47 and name HE#) (resid 51 and name HB1)    4.51  2.71  0.49    !
assign (resid 47 and name HE#) (resid 51 and name HB2)    4.07  2.27  0.93    !
assign (resid 47 and name HE#) (resid 51 and name HD#)    3.71  1.91  0.09    !
assign (resid 47 and name HE#) (resid 51 and name HE#)    3.75  1.95  0.05    !
assign (resid 47 and name HN)  (resid 47 and name HD#)    3.36  1.56  0.44    !
assign (resid 47 and name HE#) (resid 53 and name HN)     4.23  2.43  0.77    !
assign (resid 47 and name HE#) (resid 53 and name HG#)    4.38  2.58  0.62    !
assign (resid 47 and name HD#) (resid 55 and name HD#)    3.98  2.18  1.02    !
assign (resid 47 and name HA)  (resid 51 and name HD#)    3.27  1.47  0.53    !
assign (resid 47 and name HD#) (resid 53 and name HN)     3.84  2.04  1.16    !
assign (resid 47 and name HE#) (resid 53 and name HG#)    3.94  2.14  1.06    !
assign (resid 47 and name HE#) (resid 58 and name HB1)    4.01  2.21  0.99    !
assign (resid 47 and name HD#) (resid 48 and name HA)     3.91  2.11  1.09    !
assign (resid 47 and name HE#) (resid 58 and name HB2)    4.04  2.24  0.96    !
assign (resid 47 and name HN)  (resid 47 and name HB#)    3.18  1.38  0.62    !
assign (resid 47 and name HN)  (resid 47 and name HB#)    3.52  1.72  0.28    !
assign (resid 47 and name HB#) (resid 48 and name HN)     3.41  1.61  0.39    !
assign (resid 47 and name HE#) (resid 55 and name HA)     3.43  1.63  0.37    !
assign (resid 47 and name HA)  (resid 50 and name HN)     4.49  2.69  0.51    !
assign (resid 47 and name HB#) (resid 48 and name HN)     3.36  1.56  0.44    !
assign (resid 47 and name HE#) (resid 58 and name HN)     3.77  1.97  0.03    !
assign (resid 47 and name HD#) (resid 51 and name HB2)    4.75  2.95  0.25    !
assign (resid 48 and name HA)  (resid 52 and name HN)     3.72  1.92  0.08    !
assign (resid 48 and name HA)  (resid 48 and name HB#)    3.30  1.50  0.50    !
assign (resid 48 and name HA)  (resid 55 and name HD#)    4.12  2.32  0.88    !
assign (resid 48 and name HN)  (resid 48 and name HB#)    3.53  1.73  0.27    !
assign (resid 48 and name HN)  (resid 48 and name HB#)    3.50  1.70  0.30    !
assign (resid 48 and name HB#) (resid 49 and name HN)     3.41  1.61  0.39    !
assign (resid 48 and name HN)  (resid 49 and name HB#)    4.29  2.49  0.71    !
assign (resid 49 and name HG#) (resid 50 and name HG2#)   4.26  2.46  0.74    !
assign (resid 49 and name HA)  (resid 49 and name HG#)    3.78  1.98  0.02    !
assign (resid 49 and name HD#) (resid 49 and name HG#)    3.77  1.97  0.03    !
assign (resid 49 and name HD2) (resid 49 and name HD1)    2.88  1.08  0.92    !
assign (resid 49 and name HG#) (resid 50 and name HN)     3.80  2.00  0.00    !
assign (resid 49 and name HN)  (resid 49 and name HG#)    3.93  2.13  1.07    !
assign (resid 49 and name HN)  (resid 49 and name HG#)    4.05  2.25  0.95    !
assign (resid 49 and name HN)  (resid 49 and name HB#)    3.35  1.55  0.45    !
assign (resid 49 and name HB#) (resid 50 and name HN)     3.34  1.54  0.46    !
assign (resid 49 and name HB#) (resid 49 and name HG#)    3.72  1.92  0.08    !
assign (resid 49 and name HN)  (resid 50 and name HG2#)   3.77  1.97  0.03    !
assign (resid 49 and name HA)  (resid 49 and name HG#)    4.10  2.30  0.90    !
assign (resid 49 and name HA)  (resid 49 and name HB#)    3.41  1.61  0.39    !
assign (resid 49 and name HE)  (resid 49 and name HD#)    3.98  2.18  1.02    !
assign (resid 49 and name HE)  (resid 49 and name HD#)    4.44  2.64  0.56    !
assign (resid 49 and name HD#) (resid 49 and name HB#)    4.05  2.25  0.95    !
assign (resid 49 and name HD#) (resid 49 and name HG#)    3.73  1.93  0.07    !
assign (resid 49 and name HB#) (resid 50 and name HG2#)   3.78  1.98  0.02    !
assign (resid 50 and name HG2#)(resid 50 and name HG1#)   2.59  0.79  0.21    !
assign (resid 50 and name HN)  (resid 50 and name HG2#)   2.88  1.08  0.92    !
assign (resid 50 and name HG1#)(resid 51 and name HN)     3.73  1.93  0.07    !
assign (resid 50 and name HG1#)(resid 73 and name HA)     3.74  1.94  0.06    !
assign (resid 50 and name HG1#)(resid 51 and name HA)     3.93  2.13  1.07    !
assign (resid 50 and name HG1#)(resid 73 and name HB#)    2.80  1.00  0.00    !
assign (resid 50 and name HG1#)(resid 75 and name HD1#)   3.22  1.42  0.58    !
assign (resid 50 and name HG2#)(resid 51 and name HN)     3.65  1.85  0.15    !
assign (resid 50 and name HA)  (resid 50 and name HG2#)   2.82  1.02  0.98    !
assign (resid 50 and name HA)  (resid 50 and name HG1#)   2.94  1.14  0.86    !
assign (resid 50 and name HG2#)(resid 51 and name HE#)    4.02  2.22  0.98    !
assign (resid 50 and name HB)  (resid 50 and name HG2#)   2.97  1.17  0.83    !
assign (resid 50 and name HB)  (resid 50 and name HG1#)   3.02  1.22  0.78    !
assign (resid 50 and name HG1#)(resid 51 and name HZ)     3.90  2.10  1.10    !
assign (resid 50 and name HN)  (resid 51 and name HD#)    4.61  2.81  0.39    !
assign (resid 50 and name HB)  (resid 51 and name HD#)    4.17  2.37  0.83    !
assign (resid 50 and name HG#) (resid 51 and name HD#)    3.84  2.04  1.16    !
assign (resid 50 and name HG2#)(resid 73 and name HB#|)   3.35  1.55  0.45    !
assign (resid 50 and name HG2#)(resid 75 and name HD1#)   3.61  1.81  0.19    !
assign (resid 50 and name HG#) (resid 51 and name HE#)    3.56  1.76  0.24    !
assign (resid 50 and name HG2#)(resid 72 and name HE#)    4.06  2.26  0.94    !
assign (resid 50 and name HG#) (resid 51 and name HD#)    3.37  1.57  0.43    !
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assign (resid 51 and name HE#) (resid 51 and name HA)     4.11  2.31  0.89    !
assign (resid 51 and name HD#) (resid 52 and name HN)     4.50  2.70  0.50    !
assign (resid 51 and name HD#) (resid 53 and name HN)     4.27  2.47  0.73    !
assign (resid 51 and name HD#) (resid 58 and name HD#)    3.85  2.05  1.15    !
assign (resid 51 and name HE#) (resid 51 and name HD#)    2.61  0.81  0.19    !
assign (resid 51 and name HE#) (resid 58 and name HE#)    3.69  1.89  0.11    !
assign (resid 51 and name HD#) (resid 58 and name HE#)    3.71  1.91  0.09    !
assign (resid 51 and name HE#) (resid 69 and name HD2#)   3.92  2.12  1.08    !
assign (resid 51 and name HZ)  (resid 70 and name HG#)    4.64  2.84  0.36    !
assign (resid 51 and name HD#) (resid 51 and name HA)     2.90  1.10  0.90    !
assign (resid 51 and name HE#) (resid 58 and name HZ)     4.02  2.22  0.98    !
assign (resid 51 and name HE#) (resid 70 and name HG#)    4.27  2.47  0.73    !
assign (resid 51 and name HE#) (resid 70 and name HN)     3.92  2.12  1.08    !
assign (resid 51 and name HD#) (resid 51 and name HB2)    3.04  1.24  0.76    !
assign (resid 51 and name HD#) (resid 51 and name HB1)    3.04  1.24  0.76    !
assign (resid 51 and name HE#) (resid 69 and name HB2)    3.49  1.69  0.31    !
assign (resid 51 and name HE#) (resid 75 and name HB2)    3.97  2.17  1.03    !
assign (resid 51 and name HE#) (resid 73 and name HB1)    3.19  1.39  0.61    !
assign (resid 51 and name HE#) (resid 75 and name HD#)    3.64  1.84  0.16    !
assign (resid 51 and name HD#) (resid 69 and name HB1)    3.68  1.88  0.12    !
assign (resid 51 and name HD#) (resid 53 and name HE#)    3.75  1.95  0.05    !
assign (resid 51 and name HZ)  (resid 51 and name HE#)    2.77  0.97  0.03    !
assign (resid 51 and name HZ)  (resid 51 and name HD#)    3.56  1.76  0.24    !
assign (resid 51 and name HD#) (resid 69 and name HB2)    3.32  1.52  0.48    !
assign (resid 51 and name HD#) (resid 73 and name HB1)    3.70  1.90  0.10    !
assign (resid 51 and name HD#) (resid 69 and name HD#)    3.36  1.56  0.44    !
assign (resid 51 and name HZ)  (resid 73 and name HB#)    3.41  1.61  0.39    !
assign (resid 51 and name HE#) (resid 51 and name HB1)    4.27  2.47  0.73    !
assign (resid 51 and name HZ)  (resid 75 and name HD1#)   3.03  1.23  0.77    !
assign (resid 51 and name HD#) (resid 69 and name HD#)    3.26  1.46  0.54    !
assign (resid 51 and name HN)  (resid 51 and name HD#)    3.42  1.62  0.38    !
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assign (resid 53 and name HE#) (resid 58 and name HD#)    3.37  1.57  0.43    !
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assign (resid 53 and name HG#) (resid 58 and name HN)     3.95  2.15  1.05    !
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assign (resid 53 and name HG#) (resid 53 and name HB1)    3.68  1.88  0.12    !
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assign (resid 55 and name HB#) (resid 55 and name HG#)    3.95  2.15  1.05    !
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assign (resid 55 and name HD#) (resid 56 and name HN)     3.78  1.98  0.02    !
assign (resid 55 and name HA)  (resid 58 and name HD#)    3.95  2.15  1.05    !
assign (resid 55 and name HB#) (resid 56 and name HN)     3.75  1.95  0.05    !
assign (resid 55 and name HA)  (resid 55 and name HB#)    2.91  1.11  0.89    !
assign (resid 55 and name HD#) (resid 55 and name HG#)    3.37  1.57  0.43    !
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assign (resid 56 and name HA)  (resid 56 and name HG#)    3.45  1.65  0.35    !
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assign (resid 56 and name HG#) (resid 56 and name HB2)    3.96  2.16  1.04    !
assign (resid 56 and name HG2) (resid 56 and name HG1)    2.88  1.08  0.92    !
assign (resid 57 and name HA)  (resid 57 and name HG#)    3.83  2.03  1.17    !
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assign (resid 57 and name HN)  (resid 57 and name HG#)    3.49  1.69  0.31    !
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assign (resid 57 and name HA)  (resid 57 and name HG#)    3.81  2.01  1.19    !
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assign (resid 58 and name HE#) (resid 61 and name HD1#)   3.84  2.04  1.16    !
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assign (resid 58 and name HE#) (resid 69 and name HD2#)   4.08  2.28  0.92    !
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assign (resid 58 and name HE#) (resid 58 and name HZ)     2.75  0.95  0.05    !
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assign (resid 58 and name HZ)  (resid 70 and name HD#)    3.71  1.91  0.09    !
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assign (resid 58 and name HE#) (resid 70 and name HN)     4.02  2.22  0.98    !
assign (resid 58 and name HE#) (resid 69 and name HB2)    3.77  1.97  0.03    !
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assign (resid 58 and name HA)  (resid 61 and name HD2#)   4.21  2.41  0.79    !
assign (resid 58 and name HZ)  (resid 70 and name HG#)    4.21  2.41  0.79    !
assign (resid 58 and name HA)  (resid 61 and name HD1#)   3.12  1.32  0.68    !
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assign (resid 59 and name HN)  (resid 59 and name HA#)    3.12  1.32  0.68    !
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assign (resid 59 and name HN)  (resid 59 and name HA#)    3.73  1.93  0.07    !
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assign (resid 60 and name HB2) (resid 60 and name HG#)    3.40  1.60  0.40    !
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assign (resid 60 and name HB2) (resid 60 and name HG#)    3.62  1.82  0.18    !
assign (resid 60 and name HN)  (resid 60 and name HG#)    3.83  2.03  1.17    !
assign (resid 60 and name HB1) (resid 60 and name HG#)    3.86  2.06  1.14    !
assign (resid 60 and name HA)  (resid 61 and name HD2#)   4.19  2.39  0.81    !
assign (resid 60 and name HD#) (resid 60 and name HG#)    3.16  1.36  0.64    !
assign (resid 60 and name HN)  (resid 60 and name HG#)    3.15  1.35  0.65    !
assign (resid 60 and name HG2) (resid 60 and name HG1)    3.08  1.28  0.72    !
assign (resid 60 and name HE#) (resid 60 and name HD#)    3.35  1.55  0.45    !
assign (resid 60 and name HE#) (resid 60 and name HG#)    4.18  2.38  0.82    !
assign (resid 61 and name HD1#)(resid 66 and name HA)     3.86  2.06  1.14    !
assign (resid 61 and name HB2) (resid 61 and name HD2#)   3.55  1.75  0.25    !
assign (resid 61 and name HA)  (resid 61 and name HD2#)   2.87  1.07  0.93    !
assign (resid 61 and name HA)  (resid 61 and name HD1#)   3.75  1.95  0.05    !
assign (resid 61 and name HG)  (resid 61 and name HD1#)   3.05  1.25  0.75    !
assign (resid 61 and name HG)  (resid 61 and name HD2#)   2.98  1.18  0.82    !
assign (resid 61 and name HD2#)(resid 62 and name HN)     3.19  1.39  0.61    !
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assign (resid 61 and name HB#) (resid 61 and name HD2#)   3.65  1.85  0.15    !
assign (resid 61 and name HN)  (resid 61 and name HD2#)   3.31  1.51  0.49    !
assign (resid 61 and name HA)  (resid 62 and name HN)     3.11  1.31  0.69    !
assign (resid 61 and name HB1) (resid 61 and name HD1#)   3.34  1.54  0.46    !
assign (resid 61 and name HD2#)(resid 61 and name HD1#)   2.58  0.78  0.22    !
assign (resid 61 and name HD1#)(resid 69 and name HD1#)   2.89  1.09  0.91    !
assign (resid 61 and name HD1#)(resid 65 and name HG#)    4.27  2.47  0.73    !
assign (resid 61 and name HD1#)(resid 65 and name HG#)    3.95  2.15  1.05    !
assign (resid 61 and name HD1#)(resid 65 and name HB#)    4.06  2.26  0.94    !
assign (resid 61 and name HD1#)(resid 66 and name HG#)    3.70  1.90  0.10    !
assign (resid 61 and name HD1#)(resid 66 and name HD1#)   4.25  2.45  0.75    !
assign (resid 61 and name HD1#)(resid 62 and name HN)     3.83  2.03  1.17    !
assign (resid 61 and name HB2) (resid 61 and name HD1#)   3.30  1.50  0.50    !
assign (resid 61 and name HD1#)(resid 65 and name HB#)    4.03  2.23  0.97    !
assign (resid 61 and name HB2) (resid 66 and name HG#)    4.05  2.25  0.95    !
assign (resid 61 and name HD2#)(resid 65 and name HB#)    4.09  2.29  0.91    !
assign (resid 62 and name HA)  (resid 62 and name HB#)    2.70  0.90  0.10    !
assign (resid 62 and name HN)  (resid 65 and name HB#)    4.14  2.34  0.86    !
assign (resid 63 and name HG)  (resid 63 and name HD2#)   3.27  1.47  0.53    !
assign (resid 63 and name HD1#)(resid 67 and name HD2#)   4.44  2.64  0.56    !
assign (resid 63 and name HN)  (resid 63 and name HD#)    3.44  1.64  0.36    !
assign (resid 63 and name HD2#)(resid 67 and name HD2#)   3.43  1.63  0.37    !
assign (resid 63 and name HG)  (resid 67 and name HD2#)   3.83  2.03  1.17    !
assign (resid 63 and name HD1#)(resid 67 and name HD2#)   3.51  1.71  0.29    !
assign (resid 63 and name HD2#)(resid 64 and name HN)     3.76  1.96  0.04    !
assign (resid 63 and name HB1) (resid 67 and name HD2#)   4.17  2.37  0.83    !
assign (resid 63 and name HG)  (resid 67 and name HD2#)   4.16  2.36  0.84    !
assign (resid 63 and name HA)  (resid 63 and name HD1#)   2.88  1.08  0.92    !
assign (resid 63 and name HB2) (resid 63 and name HD2#)   2.81  1.01  0.99    !
assign (resid 63 and name HG)  (resid 63 and name HD1#)   3.24  1.44  0.56    !
assign (resid 63 and name HD1#)(resid 66 and name HD#)    4.41  2.61  0.59    !
assign (resid 64 and name HA)  (resid 67 and name HD2#)   3.53  1.73  0.27    !
assign (resid 64 and name HE3) (resid 68 and name HB#)    3.89  2.09  1.11    !
assign (resid 64 and name HE3) (resid 65 and name HA)     3.56  1.76  0.24    !
assign (resid 64 and name HE3) (resid 68 and name HG#)    3.98  2.18  1.02    !
assign (resid 64 and name HH2) (resid 65 and name HD#)    4.12  2.32  0.88    !
assign (resid 64 and name HZ3) (resid 65 and name HD#)    4.43  2.63  0.57    !
assign (resid 64 and name HZ3) (resid 65 and name HB#)    4.48  2.68  0.52    !
assign (resid 64 and name HH2) (resid 65 and name HB#)    4.48  2.68  0.52    !
assign (resid 65 and name HA)  (resid 65 and name HB#)    3.30  1.50  0.50    !
assign (resid 65 and name HD#) (resid 65 and name HG#)    3.33  1.53  0.47    !
assign (resid 65 and name HG2) (resid 65 and name HG1)    3.03  1.23  0.77    !
assign (resid 65 and name HA)  (resid 65 and name HG#)    3.89  2.09  1.11    !
assign (resid 65 and name HG#) (resid 65 and name HB#)    3.73  1.93  0.07    !
assign (resid 65 and name HG#) (resid 65 and name HB#)    3.72  1.92  0.08    !
assign (resid 65 and name HD1) (resid 65 and name HD2)    2.93  1.13  0.87    !
assign (resid 65 and name HE2) (resid 65 and name HE1)    3.21  1.41  0.59    !
assign (resid 65 and name HN)  (resid 65 and name HB#)    3.15  1.35  0.65    !
assign (resid 65 and name HA)  (resid 65 and name HB#)    3.35  1.55  0.45    !
assign (resid 65 and name HB#) (resid 66 and name HN)     3.74  1.94  0.06    !
assign (resid 65 and name HE#) (resid 65 and name HG#)    4.14  2.34  0.86    !
assign (resid 65 and name HB#) (resid 66 and name HN)     3.53  1.73  0.27    !
assign (resid 65 and name HE#) (resid 65 and name HG#)    3.95  2.15  1.05    !
assign (resid 65 and name HE#) (resid 65 and name HG#)    4.12  2.32  0.88    !
assign (resid 65 and name HA)  (resid 65 and name HG#)    3.94  2.14  1.06    !
assign (resid 65 and name HA)  (resid 68 and name HB#)    3.31  1.51  0.49    !
assign (resid 65 and name HE#) (resid 65 and name HD#)    4.51  2.71  0.49    !
assign (resid 65 and name HA)  (resid 65 and name HD#)    3.73  1.93  0.07    !
assign (resid 65 and name HN)  (resid 65 and name HB#)    3.26  1.46  0.54    !
assign (resid 65 and name HE#) (resid 69 and name HD2#)   3.78  1.98  0.02    !
assign (resid 65 and name HN)  (resid 65 and name HG#)    3.99  2.19  1.01    !
assign (resid 65 and name HN)  (resid 66 and name HG#)    4.00  2.20  1.00    !
assign (resid 65 and name HG#) (resid 69 and name HD1#)   3.40  1.60  0.40    !
assign (resid 65 and name HE#) (resid 65 and name HB#)    4.44  2.64  0.56    !
assign (resid 65 and name HN)  (resid 65 and name HG#)    3.95  2.15  1.05    !
assign (resid 66 and name HD#) (resid 66 and name HG#)    3.73  1.93  0.07    !
assign (resid 66 and name HN)  (resid 66 and name HG#)    3.85  2.05  1.15    !
assign (resid 66 and name HG#) (resid 67 and name HD2#)   4.03  2.23  0.97    !
assign (resid 66 and name HA)  (resid 66 and name HG#)    3.58  1.78  0.22    !
assign (resid 66 and name HN)  (resid 66 and name HG#)    3.66  1.86  0.14    !
assign (resid 66 and name HB2) (resid 66 and name HG#)    4.09  2.29  0.91    !
assign (resid 66 and name HG#) (resid 67 and name HN)     3.75  1.95  0.05    !
assign (resid 66 and name HD1) (resid 66 and name HD2)    3.58  1.78  0.22    !
assign (resid 66 and name HB1) (resid 66 and name HG#)    4.11  2.31  0.89    !
assign (resid 66 and name HB2) (resid 66 and name HG#)    3.97  2.17  1.03    !
assign (resid 66 and name HA)  (resid 66 and name HG#)    3.99  2.19  1.01    !
assign (resid 66 and name HD#) (resid 66 and name HG#)    4.48  2.68  0.52    !
assign (resid 66 and name HA)  (resid 69 and name HD1#)   3.96  2.16  1.04    !
assign (resid 66 and name HD#) (resid 66 and name HG#)    3.75  1.95  0.05    !
assign (resid 66 and name HD#) (resid 66 and name HG#)    3.76  1.96  0.04    !
assign (resid 67 and name HD2#)(resid 67 and name HB2)    3.35  1.55  0.45    !
assign (resid 67 and name HD2#)(resid 67 and name HB1)    3.35  1.55  0.45    !
assign (resid 67 and name HN)  (resid 67 and name HD2#)   4.00  2.20  1.00    !
assign (resid 67 and name HD2#)(resid 67 and name HB2)    3.63  1.83  0.17    !
assign (resid 67 and name HD2#)(resid 67 and name HD2#)   2.55  0.75  0.25    !
assign (resid 67 and name HD2#)(resid 76 and name HE#)    3.81  2.01  1.19    !
assign (resid 67 and name HN)  (resid 67 and name HD2#)   3.89  2.09  1.11    !
assign (resid 67 and name HD#) (resid 67 and name HB2)    3.65  1.85  0.15    !
assign (resid 68 and name HA)  (resid 68 and name HG#)    3.50  1.70  0.30    !
assign (resid 68 and name HG#) (resid 68 and name HG#)    3.13  1.33  0.67    !
assign (resid 68 and name HN)  (resid 68 and name HG#)    3.94  2.14  1.06    !
assign (resid 68 and name HB#) (resid 69 and name HN)     3.64  1.84  0.16    !
assign (resid 68 and name HG#) (resid 68 and name HB#)    3.48  1.68  0.32    !
assign (resid 68 and name HN)  (resid 68 and name HG#)    4.10  2.30  0.90    !
assign (resid 68 and name HA)  (resid 71 and name HD#)    3.94  2.14  1.06    !
assign (resid 68 and name HN)  (resid 68 and name HB#)    2.85  1.05  0.95    !
assign (resid 68 and name HA)  (resid 68 and name HG#)    3.67  1.87  0.13    !
assign (resid 68 and name HA)  (resid 68 and name HB#)    3.06  1.26  0.74    !
assign (resid 69 and name HB1) (resid 69 and name HD2#)   3.91  2.11  1.09    !
assign (resid 69 and name HB2) (resid 69 and name HD2#)   3.15  1.35  0.65    !
assign (resid 69 and name HB2) (resid 69 and name HD1#)   3.68  1.88  0.12    !
assign (resid 69 and name HA)  (resid 69 and name HD1#)   3.77  1.97  0.03    !
assign (resid 69 and name HD1#)(resid 70 and name HB2)    4.39  2.59  0.61    !
assign (resid 69 and name HG)  (resid 69 and name HD2#)   2.99  1.19  0.81    !
assign (resid 69 and name HG)  (resid 69 and name HD1#)   3.57  1.77  0.23    !
assign (resid 69 and name HN)  (resid 69 and name HD2#)   3.36  1.56  0.44    !
assign (resid 69 and name HD1#)(resid 70 and name HN)     4.13  2.33  0.87    !
assign (resid 69 and name HD2#)(resid 70 and name HN)     4.04  2.24  0.96    !
assign (resid 69 and name HD2#)(resid 69 and name HD1#)   2.59  0.79  0.21    !
assign (resid 69 and name HA)  (resid 69 and name HD2#)   2.77  0.97  0.03    !
assign (resid 69 and name HN)  (resid 69 and name HD1#)   3.52  1.72  0.28    !
assign (resid 69 and name HB1) (resid 69 and name HD1#)   3.53  1.73  0.27    !
assign (resid 70 and name HA)  (resid 73 and name HB#)    3.34  1.54  0.46    !
assign (resid 70 and name HN)  (resid 71 and name HG#)    4.28  2.48  0.72    !
assign (resid 70 and name HA)  (resid 70 and name HG#)    3.56  1.76  0.24    !
assign (resid 70 and name HN)  (resid 70 and name HG#)    4.23  2.43  0.77    !
assign (resid 70 and name HG#) (resid 76 and name HN)     4.33  2.53  0.67    !
assign (resid 70 and name HN)  (resid 70 and name HG#)    3.59  1.79  0.21    !
assign (resid 70 and name HA)  (resid 71 and name HG#)    4.06  2.26  0.94    !
assign (resid 70 and name HG2) (resid 70 and name HG1)    3.56  1.76  0.24    !
assign (resid 70 and name HN)  (resid 70 and name HD#)    3.74  1.94  0.06    !
assign (resid 71 and name HE#) (resid 76 and name HD#)    4.17  2.37  0.83    !
assign (resid 71 and name HD#) (resid 71 and name HG#)    3.54  1.74  0.26    !
assign (resid 71 and name HG#) (resid 71 and name HG#)    3.68  1.88  0.12    !
assign (resid 71 and name HG#) (resid 76 and name HB2)    4.29  2.49  0.71    !
assign (resid 71 and name HN)  (resid 76 and name HD#)    4.21  2.41  0.79    !
assign (resid 71 and name HN)  (resid 71 and name HG#)    3.84  2.04  1.16    !
assign (resid 71 and name HN)  (resid 71 and name HG#)    3.53  1.73  0.27    !
assign (resid 71 and name HB2) (resid 71 and name HG#)    4.00  2.20  1.00    !
assign (resid 71 and name HE#) (resid 76 and name HZ)     4.19  2.39  0.81    !
assign (resid 71 and name HB1) (resid 71 and name HG#)    4.35  2.55  0.65    !
assign (resid 71 and name HA)  (resid 71 and name HG#)    3.50  1.70  0.30    !
assign (resid 71 and name HA)  (resid 71 and name HG#)    3.81  2.01  1.19    !
assign (resid 71 and name HB1) (resid 71 and name HG#)    4.02  2.22  0.98    !
assign (resid 71 and name HA)  (resid 71 and name HD#)    4.23  2.43  0.77    !
assign (resid 71 and name HN)  (resid 71 and name HD#)    4.01  2.21  0.99    !
assign (resid 71 and name HE#) (resid 71 and name HD#)    4.17  2.37  0.83    !
assign (resid 71 and name HG#) (resid 76 and name HD#)    4.12  2.32  0.88    !
assign (resid 71 and name HG#) (resid 76 and name HB2)    4.00  2.20  1.00    !
assign (resid 72 and name HN)  (resid 72 and name HG#)    3.80  2.00  1.20    !
assign (resid 72 and name HD#) (resid 72 and name HG#)    3.39  1.59  0.41    !
assign (resid 72 and name HE#) (resid 72 and name HD#)    4.03  2.23  0.97    !
assign (resid 72 and name HG1) (resid 72 and name HG2)    2.84  1.04  0.96    !
assign (resid 72 and name HB#) (resid 73 and name HB#)    3.81  2.01  1.19    !
assign (resid 72 and name HB#) (resid 73 and name HN)     3.74  1.94  0.06    !
assign (resid 72 and name HB#) (resid 73 and name HN)     3.82  2.02  1.18    !
assign (resid 72 and name HB#) (resid 72 and name HG#)    3.65  1.85  0.15    !
assign (resid 72 and name HN)  (resid 72 and name HD#)    4.29  2.49  0.71    !
assign (resid 72 and name HN)  (resid 72 and name HB#)    2.89  1.09  0.91    !
assign (resid 72 and name HN)  (resid 72 and name HG#)    4.11  2.31  0.89    !
assign (resid 72 and name HA)  (resid 72 and name HG#)    3.94  2.14  1.06    !
assign (resid 72 and name HB#) (resid 72 and name HD#)    3.92  2.12  1.08    !
assign (resid 72 and name HA)  (resid 72 and name HD#)    3.87  2.07  1.13    !
assign (resid 73 and name HN)  (resid 73 and name HB#)    3.31  1.51  0.49    !
assign (resid 73 and name HB#) (resid 75 and name HD1#)   3.09  1.29  0.71    !
assign (resid 73 and name HB#) (resid 75 and name HN)     4.04  2.24  0.96    !
assign (resid 73 and name HB#) (resid 75 and name HG)     3.67  1.87  0.13    !
assign (resid 74 and name HN)  (resid 74 and name HB#)    4.13  2.33  0.87    !
assign (resid 74 and name HN)  (resid 74 and name HG#)    3.93  2.13  1.07    !
assign (resid 74 and name HB#) (resid 74 and name HG#)    3.72  1.92  0.08    !
assign (resid 74 and name HN)  (resid 74 and name HB#)    4.01  2.21  0.99    !
assign (resid 74 and name HN)  (resid 76 and name HN)     4.24  2.44  0.76    !
assign (resid 74 and name HA)  (resid 74 and name HB#)    3.78  1.98  0.02    !
assign (resid 74 and name HA)  (resid 74 and name HB#)    3.49  1.69  0.31    !
assign (resid 74 and name HG#) (resid 75 and name HN)     4.44  2.64  0.56    !
assign (resid 74 and name HA)  (resid 74 and name HG#)    3.57  1.77  0.23    !
assign (resid 74 and name HB#) (resid 74 and name HG#)    3.32  1.52  0.48    !
assign (resid 75 and name HG)  (resid 75 and name HD2#)   3.19  1.39  0.61    !
assign (resid 75 and name HB1) (resid 75 and name HD1#)   3.23  1.43  0.57    !
assign (resid 75 and name HB2) (resid 75 and name HD1#)   3.73  1.93  0.07    !
assign (resid 75 and name HB2) (resid 75 and name HD2#)   3.87  2.07  1.13    !
assign (resid 75 and name HN)  (resid 75 and name HD2#)   4.34  2.54  0.66    !
assign (resid 75 and name HN)  (resid 75 and name HD1#)   4.05  2.25  0.95    !
assign (resid 76 and name HE#) (resid 76 and name HD#)    2.94  1.14  0.86    !
assign (resid 76 and name HN)  (resid 76 and name HD#)    4.26  2.46  0.74    !
assign (resid 76 and name HD#) (resid 76 and name HA)     3.34  1.54  0.46    !
assign (resid 76 and name HD#) (resid 76 and name HB1)    3.29  1.49  0.51    !
assign (resid 76 and name HD#) (resid 76 and name HB2)    3.21  1.41  0.59    !
assign (resid 76 and name HE#) (resid 76 and name HB2)    4.23  2.43  0.77    !
assign (resid  9 and name HA)  (resid  9 and name HG#)    3.10  1.30  0.70    !
assign (resid  9 and name HD#) (resid  9 and name HG#)    3.43  1.63  0.37    !
assign (resid 11 and name HD1#)(resid 40 and name HB#)    3.84  2.04  1.16    !
assign (resid 12 and name HG#) (resid 14 and name HE#)    3.60  1.80  0.20    !
assign (resid 13 and name HG2#)(resid 43 and name HB#)    3.25  1.45  0.55    !
assign (resid 13 and name HG2#)(resid 41 and name HA)     3.50  1.70  0.30    !
assign (resid 13 and name HD1#)(resid 41 and name HA)     3.30  1.50  0.50    !
assign (resid 13 and name HD1#)(resid 43 and name HB#)    3.62  1.82  0.18    !
assign (resid 13 and name HG2#)(resid 42 and name HA)     3.53  1.73  0.27    !
assign (resid 13 and name HA)  (resid 13 and name HD1#)   3.03  1.23  0.77    !
assign (resid 13 and name HA)  (resid 13 and name HG2#)   2.94  1.14  0.86    !
assign (resid 13 and name HA)  (resid 13 and name HB)     3.79  1.99  0.01    !
assign (resid 14 and name HA)  (resid 15 and name HD#)    3.01  1.21  0.79    !
assign (resid 14 and name HA)  (resid 15 and name HD#)    3.13  1.33  0.67    !
assign (resid 15 and name HA)  (resid 19 and name HD1#)   4.17  2.37  0.83    !
assign (resid 15 and name HA)  (resid 15 and name HG#)    3.46  1.66  0.34    !
assign (resid 15 and name HA)  (resid 15 and name HB#)    3.17  1.37  0.63    !
assign (resid 15 and name HA)  (resid 15 and name HG#)    3.38  1.58  0.42    !
assign (resid 19 and name HD1#)(resid 42 and name HA)     3.67  1.87  0.13    !
assign (resid 21 and name HG2#)(resid 75 and name HA)     3.20  1.40  0.60    !
assign (resid 21 and name HG1#)(resid 22 and name HA)     3.47  1.67  0.33    !
assign (resid 21 and name HB)  (resid 21 and name HG2#)   3.37  1.57  0.43    !
assign (resid 22 and name HG2#)(resid 23 and name HA)     3.67  1.87  0.13    !
assign (resid 24 and name HA)  (resid 24 and name HG#)    3.49  1.69  0.31    !
assign (resid 24 and name HA)  (resid 24 and name HD#)    3.63  1.83  0.17    !
assign (resid 26 and name HA)  (resid 26 and name HD#)    3.30  1.50  0.50    !
assign (resid 30 and name HA)  (resid 31 and name HD#)    3.07  1.27  0.73    !
assign (resid 30 and name HA)  (resid 30 and name HG#)    3.67  1.87  0.13    !
assign (resid 30 and name HA)  (resid 31 and name HD#)    2.89  1.09  0.91    !
assign (resid 30 and name HA)  (resid 30 and name HB#)    3.03  1.23  0.77    !
assign (resid 30 and name HA)  (resid 30 and name HG#)    4.24  2.44  0.76    !
assign (resid 31 and name HD#) (resid 31 and name HG#)    3.41  1.61  0.39    !
assign (resid 35 and name HA)  (resid 35 and name HD#)    3.55  1.75  0.25    !
assign (resid 36 and name HA)  (resid 36 and name HG#)    3.47  1.67  0.33    !
assign (resid 37 and name HA)  (resid 37 and name HG#)    3.11  1.31  0.69    !
assign (resid 37 and name HA)  (resid 37 and name HD#)    3.26  1.46  0.54    !
assign (resid 37 and name HA)  (resid 40 and name HG#)    3.85  2.05  1.15    !
assign (resid 39 and name HB2) (resid 47 and name HD#)    3.61  1.81  0.19    !
assign (resid 41 and name HD#) (resid 41 and name HB2)    3.72  1.92  0.08    !
assign (resid 42 and name HD2#)(resid 47 and name HD#)    3.67  1.87  0.13    !
assign (resid 42 and name HD2#)(resid 46 and name HA)     3.70  1.90  0.10    !
assign (resid 42 and name HA)  (resid 42 and name HD1#)   3.52  1.72  0.28    !
assign (resid 42 and name HD2#)(resid 46 and name HB2)    3.55  1.75  0.25    !
assign (resid 42 and name HA)  (resid 42 and name HD2#)   2.91  1.11  0.89    !
assign (resid 43 and name HB#) (resid 43 and name HA)     2.73  0.93  0.07    !
assign (resid 45 and name HG#) (resid 46 and name HA)     3.82  2.02  1.18    !
assign (resid 46 and name HA)  (resid 50 and name HG2#)   3.72  1.92  0.08    !
assign (resid 46 and name HA)  (resid 49 and name HG#)    3.76  1.96  0.04    !
assign (resid 47 and name HD#) (resid 54 and name HA)     3.54  1.74  0.26    !
assign (resid 47 and name HD#) (resid 55 and name HG#)    3.73  1.93  0.07    !
assign (resid 51 and name HE#) (resid 70 and name HA)     3.23  1.43  0.57    !
assign (resid 51 and name HB1) (resid 58 and name HE#)    3.65  1.85  0.15    !
assign (resid 54 and name HB2) (resid 54 and name HB1)    2.62  0.82  0.18    !
assign (resid 54 and name HB#) (resid 56 and name HG#)    3.51  1.71  0.29    !
assign (resid 54 and name HB#) (resid 57 and name HB1)    3.54  1.74  0.26    !
assign (resid 56 and name HG#) (resid 57 and name HA)     3.47  1.67  0.33    !
assign (resid 60 and name HA)  (resid 60 and name HG#)    3.27  1.47  0.53    !
assign (resid 65 and name HE2) (resid 65 and name HE1)    2.82  1.02  0.98    !
assign (resid 66 and name HD1) (resid 66 and name HD2)    2.90  1.10  0.90    !
assign (resid 71 and name HA)  (resid 76 and name HD#)    3.57  1.77  0.23    !
assign (resid 72 and name HA)  (resid 72 and name HG#)    3.52  1.72  0.28    !
assign (resid 75 and name HA)  (resid 75 and name HD2#)   2.96  1.16  0.84    !
assign (resid 75 and name HA)  (resid 75 and name HD1#)   3.98  2.18  1.02    !


!! H-bond constraints
assign (resid 67 and name O) (resid 71 and name HN) 2.3 2.3 0.0
assign (resid 67 and name O) (resid 71 and name N ) 3.3 0.8 0.0
assign (resid 46 and name O) (resid 50 and name HN) 2.3 2.3 0.0
assign (resid 46 and name O) (resid 50 and name N ) 3.3 0.8 0.0
assign (resid 66 and name O) (resid 70 and name HN) 2.3 2.3 0.0
assign (resid 66 and name O) (resid 70 and name N ) 3.3 0.8 0.0
assign (resid 65 and name O) (resid 69 and name HN) 2.3 2.3 0.0
assign (resid 65 and name O) (resid 69 and name N ) 3.3 0.8 0.0
assign (resid 43 and name O) (resid 47 and name HN) 2.3 2.3 0.0
assign (resid 43 and name O) (resid 47 and name N ) 3.3 0.8 0.0
assign (resid 45 and name O) (resid 49 and name HN) 2.3 2.3 0.0
assign (resid 45 and name O) (resid 49 and name N ) 3.3 0.8 0.0
assign (resid 47 and name O) (resid 51 and name HN) 2.3 2.3 0.0
assign (resid 47 and name O) (resid 51 and name N ) 3.3 0.8 0.0
assign (resid 54 and name O) (resid 58 and name HN) 2.3 2.3 0.0
assign (resid 54 and name O) (resid 58 and name N ) 3.3 0.8 0.0
assign (resid 57 and name O) (resid 61 and name HN) 2.3 2.3 0.0
assign (resid 57 and name O) (resid 61 and name N ) 3.3 0.8 0.0


!! phi angle constraints from HNHA J coupling data
assign (resid 12 and name c ) (resid 13 and name n)
       (resid 13 and name ca) (resid 13 and name c) 1 -120 30 2!xpk num=71
assign (resid 13 and name c ) (resid 14 and name n)
       (resid 14 and name ca) (resid 14 and name c) 1 -120 30 2!xpk num=68
assign (resid 16 and name c ) (resid 17 and name n)
       (resid 17 and name ca) (resid 17 and name c) 1 -60 30 2!xpk num=107
assign (resid 34 and name c ) (resid 35 and name n)
       (resid 35 and name ca) (resid 35 and name c) 1 -60 30 2!xpk num=129
assign (resid 36 and name c ) (resid 37 and name n)
       (resid 37 and name ca) (resid 37 and name c) 1 -120 30 2!xpk num=69
assign (resid 37 and name c ) (resid 38 and name n)
       (resid 38 and name ca) (resid 38 and name c) 1 -60 30 2!xpk num=118
assign (resid 38 and name c ) (resid 39 and name n)
       (resid 39 and name ca) (resid 39 and name c) 1 -60 30 2!xpk num=110
assign (resid 40 and name c ) (resid 41 and name n)
       (resid 41 and name ca) (resid 41 and name c) 1 -120 30 2!xpk num=74
assign (resid 42 and name c ) (resid 43 and name n)
       (resid 43 and name ca) (resid 43 and name c) 1 -60 30 2!xpk num=112
assign (resid 43 and name c ) (resid 44 and name n)
       (resid 44 and name ca) (resid 44 and name c) 1 -60 30 2!xpk num=127
assign (resid 46 and name c ) (resid 47 and name n)
       (resid 47 and name ca) (resid 47 and name c) 1 -60 30 2!xpk num=119
assign (resid 50 and name c ) (resid 51 and name n)
       (resid 51 and name ca) (resid 51 and name c) 1 -120 30 2!xpk num=75
assign (resid 57 and name c ) (resid 58 and name n)
       (resid 58 and name ca) (resid 58 and name c) 1 -60 30 2!xpk num=123
assign (resid 59 and name c ) (resid 60 and name n)
       (resid 60 and name ca) (resid 60 and name c) 1 -120 30 2!xpk num=87
assign (resid 62 and name c ) (resid 63 and name n)
       (resid 63 and name ca) (resid 63 and name c) 1 -60 30 2!xpk num=134
assign (resid 63 and name c ) (resid 64 and name n)
       (resid 64 and name ca) (resid 64 and name c) 1 -60 30 2!xpk num=105
assign (resid 65 and name c ) (resid 66 and name n)
       (resid 66 and name ca) (resid 66 and name c) 1 -60 30 2!xpk num=116
assign (resid 66 and name c ) (resid 67 and name n)
       (resid 67 and name ca) (resid 67 and name c) 1 -60 30 2!xpk num=111
assign (resid 67 and name c ) (resid 68 and name n)
       (resid 68 and name ca) (resid 68 and name c) 1 -60 30 2!xpk num=124
assign (resid 69 and name c ) (resid 70 and name n)
       (resid 70 and name ca) (resid 70 and name c) 1 -60 30 2!xpk num=113
assign (resid 70 and name c ) (resid 71 and name n)
       (resid 71 and name ca) (resid 71 and name c) 1 -60 30 2!xpk num=120
assign (resid 74 and name c ) (resid 75 and name n)
       (resid 75 and name ca) (resid 75 and name c) 1 -120 30 2!xpk num=70
assign (resid 75 and name c ) (resid 76 and name n)
       (resid 76 and name ca) (resid 76 and name c) 1 -120 40 2!xpk num=76


!! constraints from talos
assign (resid 10 and name c ) (resid 11 and name n )
       (resid 11 and name ca) (resid 11 and name c ) 1.0 -88 30 2
assign (resid 11 and name n ) (resid 11 and name ca)
       (resid 11 and name c ) (resid 12 and name n ) 1.0 134 30 2
assign (resid 11 and name c ) (resid 12 and name n )
       (resid 12 and name ca) (resid 12 and name c ) 1.0 -107 30 2
assign (resid 12 and name n ) (resid 12 and name ca)
       (resid 12 and name c ) (resid 13 and name n ) 1.0 122 30 2
assign (resid 13 and name n ) (resid 13 and name ca)
       (resid 13 and name c ) (resid 14 and name n ) 1.0 132 30 2
assign (resid 14 and name n ) (resid 14 and name ca)
       (resid 14 and name c ) (resid 15 and name n ) 1.0 149 30 2
assign (resid 14 and name c ) (resid 15 and name n )
       (resid 15 and name ca) (resid 15 and name c ) 1.0 -60 30 2
assign (resid 15 and name n ) (resid 15 and name ca)
       (resid 15 and name c ) (resid 16 and name n ) 1.0 142 30 2
assign (resid 15 and name c ) (resid 16 and name n )
       (resid 16 and name ca) (resid 16 and name c ) 1.0 -54 30 2
assign (resid 16 and name n ) (resid 16 and name ca)
       (resid 16 and name c ) (resid 17 and name n ) 1.0 -45 30 2
assign (resid 17 and name n ) (resid 17 and name ca)
       (resid 17 and name c ) (resid 18 and name n ) 1.0 -40 30 2
assign (resid 17 and name c ) (resid 18 and name n )
       (resid 18 and name ca) (resid 18 and name c ) 1.0 -69 30 2
assign (resid 18 and name n ) (resid 18 and name ca)
       (resid 18 and name c ) (resid 19 and name n ) 1.0 -31 30 2
assign (resid 18 and name c ) (resid 19 and name n )
       (resid 19 and name ca) (resid 19 and name c ) 1.0 -71 40 2
assign (resid 19 and name n ) (resid 19 and name ca)
       (resid 19 and name c ) (resid 20 and name n ) 1.0 -32 40 2
assign (resid 20 and name c ) (resid 21 and name n )
       (resid 21 and name ca) (resid 21 and name c ) 1.0 -72 30 2
assign (resid 21 and name n ) (resid 21 and name ca)
       (resid 21 and name c ) (resid 22 and name n ) 1.0 -35 30 2
assign (resid 21 and name c ) (resid 22 and name n )
       (resid 22 and name ca) (resid 22 and name c ) 1.0 -64 40 2
assign (resid 22 and name n ) (resid 22 and name ca)
       (resid 22 and name c ) (resid 23 and name n ) 1.0 -40 40 2
assign (resid 22 and name c ) (resid 23 and name n )
       (resid 23 and name ca) (resid 23 and name c ) 1.0 -65 40 2
assign (resid 23 and name n ) (resid 23 and name ca)
       (resid 23 and name c ) (resid 24 and name n ) 1.0 -41 40 2
assign (resid 23 and name c ) (resid 24 and name n )
       (resid 24 and name ca) (resid 24 and name c ) 1.0 -87 30 2
assign (resid 24 and name n ) (resid 24 and name ca)
       (resid 24 and name c ) (resid 25 and name n ) 1.0 -3 30 2
assign (resid 28 and name c ) (resid 29 and name n )
       (resid 29 and name ca) (resid 29 and name c ) 1.0 -90 30 2
assign (resid 29 and name n ) (resid 29 and name ca)
       (resid 29 and name c ) (resid 30 and name n ) 1.0 136 30 2
assign (resid 29 and name c ) (resid 30 and name n )
       (resid 30 and name ca) (resid 30 and name c ) 1.0 -60 40 2
assign (resid 30 and name n ) (resid 30 and name ca)
       (resid 30 and name c ) (resid 31 and name n ) 1.0 149 40 2
assign (resid 30 and name c ) (resid 31 and name n )
       (resid 31 and name ca) (resid 31 and name c ) 1.0 -62 40 2
assign (resid 31 and name n ) (resid 31 and name ca)
       (resid 31 and name c ) (resid 32 and name n ) 1.0 148 40 2
assign (resid 31 and name c ) (resid 32 and name n )
       (resid 32 and name ca) (resid 32 and name c ) 1.0 84 40 2
assign (resid 32 and name n ) (resid 32 and name ca)
       (resid 32 and name c ) (resid 33 and name n ) 1.0 3 40 2
assign (resid 32 and name c ) (resid 33 and name n )
       (resid 33 and name ca) (resid 33 and name c ) 1.0 -109 30 2
assign (resid 33 and name n ) (resid 33 and name ca)
       (resid 33 and name c ) (resid 34 and name n ) 1.0 139 30 2
assign (resid 33 and name c ) (resid 34 and name n )
       (resid 34 and name ca) (resid 34 and name c ) 1.0 -104 40 2
assign (resid 34 and name n ) (resid 34 and name ca)
       (resid 34 and name c ) (resid 35 and name n ) 1.0 118 30 2
assign (resid 35 and name n ) (resid 35 and name ca)
       (resid 35 and name c ) (resid 36 and name n ) 1.0 -26 30 2
assign (resid 35 and name c ) (resid 36 and name n )
       (resid 36 and name ca) (resid 36 and name c ) 1.0 -78 30 2
assign (resid 36 and name n ) (resid 36 and name ca)
       (resid 36 and name c ) (resid 37 and name n ) 1.0 -12 30 2
assign (resid 38 and name n ) (resid 38 and name ca)
       (resid 38 and name c ) (resid 39 and name n ) 1.0 -35 30 2
assign (resid 38 and name c ) (resid 39 and name n )
       (resid 39 and name ca) (resid 39 and name c ) 1.0 -71 30 2
assign (resid 39 and name n ) (resid 39 and name ca)
       (resid 39 and name c ) (resid 40 and name n ) 1.0 -14 30 2
assign (resid 39 and name c ) (resid 40 and name n )
       (resid 40 and name ca) (resid 40 and name c ) 1.0 -88 30 2
assign (resid 40 and name n ) (resid 40 and name ca)
       (resid 40 and name c ) (resid 41 and name n ) 1.0 -8 30 2
assign (resid 41 and name c ) (resid 42 and name n )
       (resid 42 and name ca) (resid 42 and name c ) 1.0 -115 30 2
assign (resid 42 and name n ) (resid 42 and name ca)
       (resid 42 and name c ) (resid 43 and name n ) 1.0 144 30 2
assign (resid 43 and name n ) (resid 43 and name ca)
       (resid 43 and name c ) (resid 44 and name n ) 1.0 158 30 2
assign (resid 44 and name n ) (resid 44 and name ca)
       (resid 44 and name c ) (resid 45 and name n ) 1.0 -42 30 2
assign (resid 44 and name c ) (resid 45 and name n )
       (resid 45 and name ca) (resid 45 and name c ) 1.0 -67 30 2
assign (resid 45 and name n ) (resid 45 and name ca)
       (resid 45 and name c ) (resid 46 and name n ) 1.0 -39 30 2
assign (resid 45 and name c ) (resid 46 and name n )
       (resid 46 and name ca) (resid 46 and name c ) 1.0 -69 30 2
assign (resid 46 and name n ) (resid 46 and name ca)
       (resid 46 and name c ) (resid 47 and name n ) 1.0 -40 30 2
assign (resid 47 and name n ) (resid 47 and name ca)
       (resid 47 and name c ) (resid 48 and name n ) 1.0 -45 30 2
assign (resid 47 and name c ) (resid 48 and name n )
       (resid 48 and name ca) (resid 48 and name c ) 1.0 -63 30 2
assign (resid 48 and name n ) (resid 48 and name ca)
       (resid 48 and name c ) (resid 49 and name n ) 1.0 -38 30 2
assign (resid 48 and name c ) (resid 49 and name n )
       (resid 49 and name ca) (resid 49 and name c ) 1.0 -63 30 2
assign (resid 49 and name n ) (resid 49 and name ca)
       (resid 49 and name c ) (resid 50 and name n ) 1.0 -46 30 2
assign (resid 49 and name c ) (resid 50 and name n )
       (resid 50 and name ca) (resid 50 and name c ) 1.0 -75 30 2
assign (resid 50 and name n ) (resid 50 and name ca)
       (resid 50 and name c ) (resid 51 and name n ) 1.0 -36 30 2
assign (resid 50 and name c ) (resid 51 and name n )
       (resid 51 and name ca) (resid 51 and name c ) 1.0 -86 30 2
assign (resid 51 and name n ) (resid 51 and name ca)
       (resid 51 and name c ) (resid 52 and name n ) 1.0 -11 30 2
assign (resid 51 and name c ) (resid 52 and name n )
       (resid 52 and name ca) (resid 52 and name c ) 1.0 60 30 2
assign (resid 52 and name n ) (resid 52 and name ca)
       (resid 52 and name c ) (resid 53 and name n ) 1.0 37 40 2
assign (resid 52 and name c ) (resid 53 and name n )
       (resid 53 and name ca) (resid 53 and name c ) 1.0 -142 30 2
assign (resid 53 and name n ) (resid 53 and name ca)
       (resid 53 and name c ) (resid 54 and name n ) 1.0 151 30 2
assign (resid 53 and name c ) (resid 54 and name n )
       (resid 54 and name ca) (resid 54 and name c ) 1.0 -102 30 2
assign (resid 54 and name n ) (resid 54 and name ca)
       (resid 54 and name c ) (resid 55 and name n ) 1.0 144 30 2
assign (resid 54 and name c ) (resid 55 and name n )
       (resid 55 and name ca) (resid 55 and name c ) 1.0 -55 30 2
assign (resid 55 and name n ) (resid 55 and name ca)
       (resid 55 and name c ) (resid 56 and name n ) 1.0 -36 30 2
assign (resid 55 and name c ) (resid 56 and name n )
       (resid 56 and name ca) (resid 56 and name c ) 1.0 -66 30 2
assign (resid 56 and name n ) (resid 56 and name ca)
       (resid 56 and name c ) (resid 57 and name n ) 1.0 -41 30 2
assign (resid 56 and name c ) (resid 57 and name n )
       (resid 57 and name ca) (resid 57 and name c ) 1.0 -68 30 2
assign (resid 57 and name n ) (resid 57 and name ca)
       (resid 57 and name c ) (resid 58 and name n ) 1.0 -39 30 2
assign (resid 58 and name n ) (resid 58 and name ca)
       (resid 58 and name c ) (resid 59 and name n ) 1.0 -37 30 2
assign (resid 60 and name n ) (resid 60 and name ca)
       (resid 60 and name c ) (resid 61 and name n ) 1.0 -14 30 2
assign (resid 61 and name c ) (resid 62 and name n )
       (resid 62 and name ca) (resid 62 and name c ) 1.0 -96 30 2
assign (resid 63 and name n ) (resid 63 and name ca)
       (resid 63 and name c ) (resid 64 and name n ) 1.0 -45 30 2
assign (resid 64 and name n ) (resid 64 and name ca)
       (resid 64 and name c ) (resid 65 and name n ) 1.0 -38 30 2
assign (resid 64 and name c ) (resid 65 and name n )
       (resid 65 and name ca) (resid 65 and name c ) 1.0 -65 30 2
assign (resid 65 and name n ) (resid 65 and name ca)
       (resid 65 and name c ) (resid 66 and name n ) 1.0 -40 30 2
assign (resid 65 and name c ) (resid 66 and name n )
       (resid 66 and name ca) (resid 66 and name c ) 1.0 -62 30 2
assign (resid 66 and name n ) (resid 66 and name ca)
       (resid 66 and name c ) (resid 67 and name n ) 1.0 -45 30 2
assign (resid 67 and name n ) (resid 67 and name ca)
       (resid 67 and name c ) (resid 68 and name n ) 1.0 -38 30 2
assign (resid 68 and name n ) (resid 68 and name ca)
       (resid 68 and name c ) (resid 69 and name n ) 1.0 -45 30 2
assign (resid 68 and name c ) (resid 69 and name n )
       (resid 69 and name ca) (resid 69 and name c ) 1.0 -63 30 2
assign (resid 69 and name n ) (resid 69 and name ca)
       (resid 69 and name c ) (resid 70 and name n ) 1.0 -41 30 2
assign (resid 70 and name n ) (resid 70 and name ca)
       (resid 70 and name c ) (resid 71 and name n ) 1.0 -39 30 2
assign (resid 71 and name n ) (resid 71 and name ca)
       (resid 71 and name c ) (resid 72 and name n ) 1.0 -38 30 2
assign (resid 71 and name c ) (resid 72 and name n )
       (resid 72 and name ca) (resid 72 and name c ) 1.0 -66 30 2
assign (resid 72 and name n ) (resid 72 and name ca)
       (resid 72 and name c ) (resid 73 and name n ) 1.0 -27 30 2
assign (resid 72 and name c ) (resid 73 and name n )
       (resid 73 and name ca) (resid 73 and name c ) 1.0 -95 30 2
assign (resid 73 and name n ) (resid 73 and name ca)
       (resid 73 and name c ) (resid 74 and name n ) 1.0 5 30 2
assign (resid 73 and name c ) (resid 74 and name n )
       (resid 74 and name ca) (resid 74 and name c ) 1.0 59 30 2
assign (resid 74 and name n ) (resid 74 and name ca)
       (resid 74 and name c ) (resid 75 and name n ) 1.0 41 30 2


!! CHI constraints are based on sterospecific assignments of HB atoms
assign (resid 11 and name n ) (resid 11 and name ca)
       (resid 11 and name cb) (resid 11 and name cg) 1.0 60 40 2
assign (resid 12 and name n ) (resid 12 and name ca)
       (resid 12 and name cb) (resid 12 and name cg) 1.0 60 40 2
assign (resid 14 and name n ) (resid 14 and name ca)
       (resid 14 and name cb) (resid 14 and name cg) 1.0 -60 40 2
assign (resid 16 and name n ) (resid 16 and name ca)
       (resid 16 and name cb) (resid 16 and name cg) 1.0 180 40 2
assign (resid 19 and name n ) (resid 19 and name ca)
       (resid 19 and name cb) (resid 19 and name cg) 1.0 -60 40 2
assign (resid 24 and name n ) (resid 24 and name ca)
       (resid 24 and name cb) (resid 24 and name cg) 1.0 -60 40 2
assign (resid 28 and name n ) (resid 28 and name ca)
       (resid 28 and name cb) (resid 28 and name cg) 1.0 -60 40 2
assign (resid 29 and name n ) (resid 29 and name ca)
       (resid 29 and name cb) (resid 29 and name cg) 1.0 -60 40 2
assign (resid 34 and name n ) (resid 34 and name ca)
       (resid 34 and name cb) (resid 34 and name cg) 1.0 180 40 2
assign (resid 37 and name n ) (resid 37 and name ca)
       (resid 37 and name cb) (resid 37 and name cg) 1.0 60 40 2
assign (resid 39 and name n ) (resid 39 and name ca)
       (resid 39 and name cb) (resid 39 and name cg) 1.0 60 40 2
assign (resid 42 and name n ) (resid 42 and name ca)
       (resid 42 and name cb) (resid 42 and name cg) 1.0 -60 40 2
assign (resid 46 and name n ) (resid 46 and name ca)
       (resid 46 and name cb) (resid 46 and name cg) 1.0 -60 40 2
assign (resid 51 and name n ) (resid 51 and name ca)
       (resid 51 and name cb) (resid 51 and name cg) 1.0 -60 40 2
assign (resid 53 and name n ) (resid 53 and name ca)
       (resid 53 and name cb) (resid 53 and name cg) 1.0 60 40 2
assign (resid 57 and name n ) (resid 57 and name ca)
       (resid 57 and name cb) (resid 57 and name cg) 1.0 -60 40 2
assign (resid 60 and name n ) (resid 60 and name ca)
       (resid 60 and name cb) (resid 60 and name cg) 1.0 -60 40 2
assign (resid 61 and name n ) (resid 61 and name ca)
       (resid 61 and name cb) (resid 61 and name cg) 1.0 -60 40 2
assign (resid 63 and name n ) (resid 63 and name ca)
       (resid 63 and name cb) (resid 63 and name cg) 1.0 180 40 2
assign (resid 66 and name n ) (resid 66 and name ca)
       (resid 66 and name cb) (resid 66 and name cg) 1.0 -60 40 2
assign (resid 67 and name n ) (resid 67 and name ca)
       (resid 67 and name cb) (resid 67 and name cg) 1.0 -60 40 2
assign (resid 69 and name n ) (resid 69 and name ca)
       (resid 69 and name cb) (resid 69 and name cg) 1.0 -60 40 2
assign (resid 70 and name n ) (resid 70 and name ca)
       (resid 70 and name cb) (resid 70 and name cg) 1.0 -60 40 2
assign (resid 71 and name n ) (resid 71 and name ca)
       (resid 71 and name cb) (resid 71 and name cg) 1.0 -60 40 2
assign (resid 75 and name n ) (resid 75 and name ca)
       (resid 75 and name cb) (resid 75 and name cg) 1.0 60 40 2
assign (resid 76 and name n ) (resid 76 and name ca)
       (resid 76 and name cb) (resid 76 and name cg) 1.0 180 40 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HT1  PRO   9           HT1      PRO   9 101.110  12.882  -8.238
    2    HT2  PRO   9           HT2      PRO   9 102.083  13.216  -6.953
    3    HA   PRO   9           HA       PRO   9 102.672  12.534  -9.572
    4   1HB   PRO   9          1HB       PRO   9 104.859  14.175  -8.825
    5   2HB   PRO   9          2HB       PRO   9 103.777  14.383 -10.208
    6   1HG   PRO   9          1HG       PRO   9 103.676  15.642  -7.521
    7   2HG   PRO   9          2HG       PRO   9 103.160  16.288  -9.089
    8   1HD   PRO   9          1HD       PRO   9 101.361  15.489  -7.288
    9   2HD   PRO   9          2HD       PRO   9 101.113  15.171  -9.016
   10    H    GLY  10           H        GLY  10 104.375  11.065  -9.537
   11   1HA   GLY  10          1HA       GLY  10 106.220   9.942  -8.550
   12   2HA   GLY  10          2HA       GLY  10 105.762  10.606  -6.991
   13    H    LEU  11           H        LEU  11 105.796   8.683  -5.923
   14    HA   LEU  11           HA       LEU  11 103.736   6.736  -6.713
   15   1HB   LEU  11          1HB       LEU  11 105.363   5.328  -5.058
   16   2HB   LEU  11          2HB       LEU  11 105.427   5.284  -6.811
   17    HG   LEU  11           HG       LEU  11 107.107   7.304  -6.445
   18   1HD1  LEU  11          1HD1      LEU  11 107.309   5.745  -3.872
   19   2HD1  LEU  11          2HD1      LEU  11 106.839   7.437  -4.040
   20   3HD1  LEU  11          3HD1      LEU  11 108.481   6.934  -4.442
   21   1HD2  LEU  11          1HD2      LEU  11 107.406   4.917  -7.397
   22   2HD2  LEU  11          2HD2      LEU  11 108.140   4.567  -5.832
   23   3HD2  LEU  11          3HD2      LEU  11 108.827   5.819  -6.868
   24    H    GLN  12           H        GLN  12 102.845   5.465  -4.876
   25    HA   GLN  12           HA       GLN  12 102.006   7.263  -2.787
   26   1HB   GLN  12          1HB       GLN  12 100.843   5.020  -1.991
   27   2HB   GLN  12          2HB       GLN  12 100.205   5.966  -3.324
   28   1HG   GLN  12          1HG       GLN  12 102.165   3.858  -4.006
   29   2HG   GLN  12          2HG       GLN  12 100.585   3.329  -3.437
   30   1HE2  GLN  12          1HE2      GLN  12 102.166   3.596  -6.135
   31   2HE2  GLN  12          2HE2      GLN  12 100.940   4.149  -7.219
   32    H    ILE  13           H        ILE  13 102.647   7.333  -0.717
   33    HA   ILE  13           HA       ILE  13 104.859   5.580   0.049
   34    HB   ILE  13           HB       ILE  13 103.966   8.044   1.525
   35   1HG1  ILE  13          1HG1      ILE  13 104.598   8.376  -0.973
   36   2HG1  ILE  13          2HG1      ILE  13 105.379   9.392   0.237
   37   1HG2  ILE  13          1HG2      ILE  13 106.536   6.474   1.456
   38   2HG2  ILE  13          2HG2      ILE  13 105.391   6.583   2.795
   39   3HG2  ILE  13          3HG2      ILE  13 106.318   8.004   2.311
   40   1HD1  ILE  13          1HD1      ILE  13 106.955   8.599  -1.443
   41   2HD1  ILE  13          2HD1      ILE  13 106.576   6.931  -1.013
   42   3HD1  ILE  13          3HD1      ILE  13 107.358   7.989   0.163
   43    H    TYR  14           H        TYR  14 104.800   4.248   1.795
   44    HA   TYR  14           HA       TYR  14 102.451   4.282   3.552
   45   1HB   TYR  14          1HB       TYR  14 103.501   1.841   2.098
   46   2HB   TYR  14          2HB       TYR  14 102.239   1.827   3.327
   47    HD1  TYR  14           HD1      TYR  14 102.996   2.296  -0.155
   48    HD2  TYR  14           HD2      TYR  14 100.066   3.021   2.844
   49    HE1  TYR  14           HE1      TYR  14 101.308   2.651  -1.898
   50    HE2  TYR  14           HE2      TYR  14  98.368   3.382   1.105
   51    HH   TYR  14           HH       TYR  14  98.567   2.407  -1.893
   52    HA   PRO  15           HA       PRO  15 105.068   3.234   6.980
   53   1HB   PRO  15          1HB       PRO  15 103.786   0.561   7.267
   54   2HB   PRO  15          2HB       PRO  15 103.966   1.860   8.458
   55   1HG   PRO  15          1HG       PRO  15 101.607   1.380   7.321
   56   2HG   PRO  15          2HG       PRO  15 102.144   3.041   7.636
   57   1HD   PRO  15          1HD       PRO  15 102.091   1.518   5.062
   58   2HD   PRO  15          2HD       PRO  15 101.717   3.230   5.370
   59    H    TYR  16           H        TYR  16 106.753   1.652   7.770
   60    HA   TYR  16           HA       TYR  16 108.190   0.629   5.530
   61   1HB   TYR  16          1HB       TYR  16 109.571   1.562   7.135
   62   2HB   TYR  16          2HB       TYR  16 108.673   0.847   8.474
   63    HD1  TYR  16           HD1      TYR  16 110.657  -0.252   5.517
   64    HD2  TYR  16           HD2      TYR  16 109.649  -0.855   9.586
   65    HE1  TYR  16           HE1      TYR  16 112.283  -2.085   5.608
   66    HE2  TYR  16           HE2      TYR  16 111.282  -2.702   9.729
   67    HH   TYR  16           HH       TYR  16 113.665  -3.182   7.945
   68    H    GLU  17           H        GLU  17 106.978  -0.924   8.512
   69    HA   GLU  17           HA       GLU  17 107.533  -3.565   7.856
   70   1HB   GLU  17          1HB       GLU  17 105.348  -2.355   9.544
   71   2HB   GLU  17          2HB       GLU  17 105.545  -4.095   9.383
   72   1HG   GLU  17          1HG       GLU  17 108.073  -3.322  10.022
   73   2HG   GLU  17          2HG       GLU  17 107.101  -2.152  10.921
   74    H    MET  18           H        MET  18 104.869  -1.541   6.775
   75    HA   MET  18           HA       MET  18 103.315  -3.685   5.680
   76   1HB   MET  18          1HB       MET  18 103.229  -0.691   5.310
   77   2HB   MET  18          2HB       MET  18 102.120  -1.783   4.492
   78   1HG   MET  18          1HG       MET  18 101.712  -2.645   6.955
   79   2HG   MET  18          2HG       MET  18 102.272  -1.017   7.354
   80   1HE   MET  18          1HE       MET  18  99.106  -2.340   7.847
   81   2HE   MET  18          2HE       MET  18  99.550  -3.266   6.413
   82   3HE   MET  18          3HE       MET  18  98.144  -2.201   6.375
   83    H    LEU  19           H        LEU  19 105.892  -1.624   4.515
   84    HA   LEU  19           HA       LEU  19 105.544  -2.563   1.772
   85   1HB   LEU  19          1HB       LEU  19 107.491  -0.560   2.903
   86   2HB   LEU  19          2HB       LEU  19 107.264  -0.918   1.198
   87    HG   LEU  19           HG       LEU  19 105.141   0.259   2.994
   88   1HD1  LEU  19          1HD1      LEU  19 107.067   1.552   1.080
   89   2HD1  LEU  19          2HD1      LEU  19 106.848   1.892   2.797
   90   3HD1  LEU  19          3HD1      LEU  19 105.589   2.331   1.643
   91   1HD2  LEU  19          1HD2      LEU  19 104.895  -1.052   0.579
   92   2HD2  LEU  19          2HD2      LEU  19 104.894   0.655   0.141
   93   3HD2  LEU  19          3HD2      LEU  19 103.721   0.041   1.303
   94    H    VAL  20           H        VAL  20 106.875  -3.983   4.328
   95    HA   VAL  20           HA       VAL  20 109.542  -4.524   3.533
   96    HB   VAL  20           HB       VAL  20 107.818  -6.356   5.206
   97   1HG1  VAL  20          1HG1      VAL  20 110.167  -6.532   6.344
   98   2HG1  VAL  20          2HG1      VAL  20 110.737  -6.005   4.762
   99   3HG1  VAL  20          3HG1      VAL  20 109.793  -7.489   4.909
  100   1HG2  VAL  20          1HG2      VAL  20 108.369  -5.117   7.130
  101   2HG2  VAL  20          2HG2      VAL  20 107.761  -3.958   5.949
  102   3HG2  VAL  20          3HG2      VAL  20 109.493  -4.092   6.239
  103    H    VAL  21           H        VAL  21 110.387  -6.591   2.698
  104    HA   VAL  21           HA       VAL  21 108.688  -7.510   0.524
  105    HB   VAL  21           HB       VAL  21 111.606  -8.055   1.064
  106   1HG1  VAL  21          1HG1      VAL  21 109.758  -8.873  -1.129
  107   2HG1  VAL  21          2HG1      VAL  21 111.043  -9.786  -0.338
  108   3HG1  VAL  21          3HG1      VAL  21 111.446  -8.530  -1.508
  109   1HG2  VAL  21          1HG2      VAL  21 110.323  -6.138  -0.877
  110   2HG2  VAL  21          2HG2      VAL  21 112.050  -6.389  -0.634
  111   3HG2  VAL  21          3HG2      VAL  21 111.072  -5.681   0.653
  112    H    THR  22           H        THR  22 110.998  -9.334   2.589
  113    HA   THR  22           HA       THR  22 109.166 -11.622   2.385
  114    HB   THR  22           HB       THR  22 112.113 -11.568   3.042
  115    HG1  THR  22           HG1      THR  22 112.125 -11.275   0.943
  116   1HG2  THR  22          1HG2      THR  22 111.216 -13.524   4.037
  117   2HG2  THR  22          2HG2      THR  22 111.991 -14.006   2.528
  118   3HG2  THR  22          3HG2      THR  22 110.235 -13.872   2.614
  119    H    ASN  23           H        ASN  23 111.216  -9.948   4.727
  120    HA   ASN  23           HA       ASN  23 110.800 -11.437   6.978
  121   1HB   ASN  23          1HB       ASN  23 111.011  -8.425   6.832
  122   2HB   ASN  23          2HB       ASN  23 111.284  -9.405   8.276
  123   1HD2  ASN  23          1HD2      ASN  23 112.508  -8.508   5.134
  124   2HD2  ASN  23          2HD2      ASN  23 114.108  -9.122   5.365
  125    H    LYS  24           H        LYS  24 108.594  -8.970   5.676
  126    HA   LYS  24           HA       LYS  24 106.669  -9.737   7.773
  127   1HB   LYS  24          1HB       LYS  24 107.426  -7.139   6.637
  128   2HB   LYS  24          2HB       LYS  24 105.687  -7.385   6.764
  129   1HG   LYS  24          1HG       LYS  24 106.654  -6.262   8.729
  130   2HG   LYS  24          2HG       LYS  24 105.871  -7.790   9.129
  131   1HD   LYS  24          1HD       LYS  24 107.968  -7.585  10.334
  132   2HD   LYS  24          2HD       LYS  24 108.074  -8.891   9.154
  133   1HE   LYS  24          1HE       LYS  24 110.098  -7.767   8.901
  134   2HE   LYS  24          2HE       LYS  24 109.105  -7.121   7.598
  135   1HZ   LYS  24          1HZ       LYS  24 110.167  -5.297   8.619
  136   2HZ   LYS  24          2HZ       LYS  24 109.773  -5.823  10.177
  137   3HZ   LYS  24          3HZ       LYS  24 108.561  -5.244   9.150
  138    H    GLY  25           H        GLY  25 107.100 -11.086   5.151
  139   1HA   GLY  25          1HA       GLY  25 104.822 -12.090   4.402
  140   2HA   GLY  25          2HA       GLY  25 104.575 -10.469   3.774
  141    H    ARG  26           H        ARG  26 104.613 -10.741   1.622
  142    HA   ARG  26           HA       ARG  26 107.122 -11.596   0.426
  143   1HB   ARG  26          1HB       ARG  26 105.645 -12.889  -1.333
  144   2HB   ARG  26          2HB       ARG  26 106.194 -13.674   0.135
  145   1HG   ARG  26          1HG       ARG  26 103.463 -12.452  -0.220
  146   2HG   ARG  26          2HG       ARG  26 103.838 -14.153  -0.451
  147   1HD   ARG  26          1HD       ARG  26 104.871 -13.618   2.044
  148   2HD   ARG  26          2HD       ARG  26 103.403 -12.638   2.000
  149    HE   ARG  26           HE       ARG  26 103.070 -15.377   1.134
  150   1HH1  ARG  26          1HH1      ARG  26 102.962 -13.161   3.845
  151   2HH1  ARG  26          2HH1      ARG  26 101.917 -14.171   4.785
  152   1HH2  ARG  26          1HH2      ARG  26 101.694 -16.702   2.379
  153   2HH2  ARG  26          2HH2      ARG  26 101.197 -16.181   3.955
  154    H    THR  27           H        THR  27 103.843 -10.944  -0.859
  155    HA   THR  27           HA       THR  27 104.858  -8.517  -2.097
  156    HB   THR  27           HB       THR  27 103.589 -10.892  -3.337
  157    HG1  THR  27           HG1      THR  27 105.535  -9.050  -4.267
  158   1HG2  THR  27          1HG2      THR  27 101.988  -9.353  -3.995
  159   2HG2  THR  27          2HG2      THR  27 103.088  -9.504  -5.370
  160   3HG2  THR  27          3HG2      THR  27 103.185  -8.092  -4.304
  161    H    LYS  28           H        LYS  28 103.207  -9.232   0.247
  162    HA   LYS  28           HA       LYS  28 100.503  -8.527  -0.258
  163   1HB   LYS  28          1HB       LYS  28 102.171  -8.748   2.218
  164   2HB   LYS  28          2HB       LYS  28 100.457  -8.353   2.277
  165   1HG   LYS  28          1HG       LYS  28 101.287 -10.826   2.578
  166   2HG   LYS  28          2HG       LYS  28  99.801 -10.465   1.702
  167   1HD   LYS  28          1HD       LYS  28 101.148 -10.512  -0.419
  168   2HD   LYS  28          2HD       LYS  28 102.513 -11.095   0.533
  169   1HE   LYS  28          1HE       LYS  28 101.450 -13.119   1.028
  170   2HE   LYS  28          2HE       LYS  28  99.857 -12.488   0.616
  171   1HZ   LYS  28          1HZ       LYS  28 100.184 -12.835  -1.585
  172   2HZ   LYS  28          2HZ       LYS  28 101.205 -14.052  -1.005
  173   3HZ   LYS  28          3HZ       LYS  28 101.855 -12.576  -1.515
  174    H    LEU  29           H        LEU  29 102.584  -6.564  -1.096
  175    HA   LEU  29           HA       LEU  29 102.763  -4.305   0.439
  176   1HB   LEU  29          1HB       LEU  29 102.846  -4.943  -2.456
  177   2HB   LEU  29          2HB       LEU  29 102.740  -3.260  -2.002
  178    HG   LEU  29           HG       LEU  29 104.997  -3.621  -2.290
  179   1HD1  LEU  29          1HD1      LEU  29 104.584  -4.151   0.639
  180   2HD1  LEU  29          2HD1      LEU  29 104.465  -2.563  -0.117
  181   3HD1  LEU  29          3HD1      LEU  29 106.000  -3.428  -0.114
  182   1HD2  LEU  29          1HD2      LEU  29 106.148  -5.533  -1.870
  183   2HD2  LEU  29          2HD2      LEU  29 104.540  -6.164  -2.226
  184   3HD2  LEU  29          3HD2      LEU  29 105.077  -6.008  -0.553
  185    HA   PRO  30           HA       PRO  30  98.819  -2.280   0.460
  186   1HB   PRO  30          1HB       PRO  30 100.376   0.204  -0.008
  187   2HB   PRO  30          2HB       PRO  30  99.285  -0.204   1.325
  188   1HG   PRO  30          1HG       PRO  30 101.941  -0.122   1.666
  189   2HG   PRO  30          2HG       PRO  30 100.931  -1.316   2.507
  190   1HD   PRO  30          1HD       PRO  30 102.715  -1.676   0.134
  191   2HD   PRO  30          2HD       PRO  30 102.395  -2.780   1.485
  192    HA   PRO  31           HA       PRO  31  97.633  -1.209  -3.677
  193   1HB   PRO  31          1HB       PRO  31  96.918   1.591  -3.082
  194   2HB   PRO  31          2HB       PRO  31  95.892   0.256  -3.627
  195   1HG   PRO  31          1HG       PRO  31  95.752   1.208  -1.121
  196   2HG   PRO  31          2HG       PRO  31  95.528  -0.514  -1.480
  197   1HD   PRO  31          1HD       PRO  31  97.929   0.898  -0.380
  198   2HD   PRO  31          2HD       PRO  31  97.237  -0.673   0.078
  199    H    GLY  32           H        GLY  32  99.405  -1.168  -5.009
  200   1HA   GLY  32          1HA       GLY  32 100.605   0.020  -6.654
  201   2HA   GLY  32          2HA       GLY  32 100.444   1.476  -5.694
  202    H    VAL  33           H        VAL  33 101.817  -1.718  -4.786
  203    HA   VAL  33           HA       VAL  33 104.452  -0.454  -4.585
  204    HB   VAL  33           HB       VAL  33 104.079  -2.302  -2.421
  205   1HG1  VAL  33          1HG1      VAL  33 105.804  -0.418  -3.010
  206   2HG1  VAL  33          2HG1      VAL  33 105.452  -0.867  -1.344
  207   3HG1  VAL  33          3HG1      VAL  33 104.696   0.561  -2.051
  208   1HG2  VAL  33          1HG2      VAL  33 102.006  -0.276  -2.779
  209   2HG2  VAL  33          2HG2      VAL  33 102.815  -0.221  -1.217
  210   3HG2  VAL  33          3HG2      VAL  33 102.036  -1.707  -1.753
  211    H    ASP  34           H        ASP  34 106.128  -1.629  -5.137
  212    HA   ASP  34           HA       ASP  34 105.902  -4.528  -5.368
  213   1HB   ASP  34          1HB       ASP  34 105.231  -3.475  -7.576
  214   2HB   ASP  34          2HB       ASP  34 106.881  -2.857  -7.692
  215    H    ARG  35           H        ARG  35 107.895  -5.605  -5.329
  216    HA   ARG  35           HA       ARG  35 109.895  -4.573  -3.740
  217   1HB   ARG  35          1HB       ARG  35 109.630  -6.914  -5.516
  218   2HB   ARG  35          2HB       ARG  35 111.279  -6.440  -5.142
  219   1HG   ARG  35          1HG       ARG  35 110.810  -7.960  -3.479
  220   2HG   ARG  35          2HG       ARG  35 110.466  -6.418  -2.688
  221   1HD   ARG  35          1HD       ARG  35 108.524  -7.397  -2.131
  222   2HD   ARG  35          2HD       ARG  35 108.046  -6.995  -3.778
  223    HE   ARG  35           HE       ARG  35 108.771  -9.625  -2.749
  224   1HH1  ARG  35          1HH1      ARG  35 107.881  -7.676  -5.525
  225   2HH1  ARG  35          2HH1      ARG  35 107.505  -9.045  -6.513
  226   1HH2  ARG  35          1HH2      ARG  35 108.269 -11.415  -4.058
  227   2HH2  ARG  35          2HH2      ARG  35 107.722 -11.164  -5.682
  228    H    MET  36           H        MET  36 109.510  -4.203  -7.193
  229    HA   MET  36           HA       MET  36 112.033  -3.648  -8.091
  230   1HB   MET  36          1HB       MET  36 109.343  -2.563  -8.813
  231   2HB   MET  36          2HB       MET  36 110.775  -1.855  -9.549
  232   1HG   MET  36          1HG       MET  36 111.380  -3.893 -10.571
  233   2HG   MET  36          2HG       MET  36 110.213  -4.804  -9.607
  234   1HE   MET  36          1HE       MET  36 111.044  -3.332 -12.833
  235   2HE   MET  36          2HE       MET  36 109.581  -3.687 -13.752
  236   3HE   MET  36          3HE       MET  36 110.434  -4.985 -12.917
  237    H    ARG  37           H        ARG  37 109.883  -1.411  -6.335
  238    HA   ARG  37           HA       ARG  37 112.232   0.212  -5.699
  239   1HB   ARG  37          1HB       ARG  37 110.890   2.302  -6.130
  240   2HB   ARG  37          2HB       ARG  37 111.383   1.412  -7.559
  241   1HG   ARG  37          1HG       ARG  37 108.705   0.840  -6.407
  242   2HG   ARG  37          2HG       ARG  37 108.939   2.353  -7.283
  243   1HD   ARG  37          1HD       ARG  37 110.107   0.620  -8.990
  244   2HD   ARG  37          2HD       ARG  37 108.885  -0.426  -8.269
  245    HE   ARG  37           HE       ARG  37 107.548   1.869  -8.942
  246   1HH1  ARG  37          1HH1      ARG  37 109.464  -0.490 -10.680
  247   2HH1  ARG  37          2HH1      ARG  37 108.610  -0.268 -12.169
  248   1HH2  ARG  37          1HH2      ARG  37 106.427   2.158 -10.906
  249   2HH2  ARG  37          2HH2      ARG  37 106.886   1.236 -12.298
  250    H    LEU  38           H        LEU  38 110.964  -1.565  -3.968
  251    HA   LEU  38           HA       LEU  38 108.980  -0.363  -2.372
  252   1HB   LEU  38          1HB       LEU  38 110.831  -2.664  -2.086
  253   2HB   LEU  38          2HB       LEU  38 110.135  -2.014  -0.605
  254    HG   LEU  38           HG       LEU  38 108.545  -2.980  -2.988
  255   1HD1  LEU  38          1HD1      LEU  38 109.485  -4.896  -1.994
  256   2HD1  LEU  38          2HD1      LEU  38 107.858  -4.770  -1.327
  257   3HD1  LEU  38          3HD1      LEU  38 109.247  -4.268  -0.365
  258   1HD2  LEU  38          1HD2      LEU  38 106.614  -2.587  -1.734
  259   2HD2  LEU  38          2HD2      LEU  38 107.589  -1.132  -1.541
  260   3HD2  LEU  38          3HD2      LEU  38 107.524  -2.326  -0.248
  261    H    GLU  39           H        GLU  39 112.494  -0.208  -2.307
  262    HA   GLU  39           HA       GLU  39 112.727   1.174   0.171
  263   1HB   GLU  39          1HB       GLU  39 115.001   1.375  -0.304
  264   2HB   GLU  39          2HB       GLU  39 114.541  -0.120  -1.104
  265   1HG   GLU  39          1HG       GLU  39 114.968   2.564  -2.402
  266   2HG   GLU  39          2HG       GLU  39 116.016   1.154  -2.516
  267    H    ARG  40           H        ARG  40 111.226   2.194  -2.585
  268    HA   ARG  40           HA       ARG  40 112.015   5.003  -2.172
  269   1HB   ARG  40          1HB       ARG  40 112.120   3.558  -4.495
  270   2HB   ARG  40          2HB       ARG  40 110.552   4.336  -4.626
  271   1HG   ARG  40          1HG       ARG  40 112.746   6.103  -3.798
  272   2HG   ARG  40          2HG       ARG  40 112.886   5.441  -5.427
  273   1HD   ARG  40          1HD       ARG  40 110.471   6.190  -5.756
  274   2HD   ARG  40          2HD       ARG  40 110.678   7.123  -4.275
  275    HE   ARG  40           HE       ARG  40 112.798   7.809  -5.893
  276   1HH1  ARG  40          1HH1      ARG  40 109.307   7.975  -6.108
  277   2HH1  ARG  40          2HH1      ARG  40 109.314   9.371  -7.130
  278   1HH2  ARG  40          1HH2      ARG  40 112.801   9.649  -7.239
  279   2HH2  ARG  40          2HH2      ARG  40 111.297  10.322  -7.773
  280    H    HIS  41           H        HIS  41 109.614   2.711  -1.741
  281    HA   HIS  41           HA       HIS  41 107.358   4.507  -1.968
  282   1HB   HIS  41          1HB       HIS  41 107.795   1.587  -1.525
  283   2HB   HIS  41          2HB       HIS  41 106.287   2.296  -0.979
  284    HD1  HIS  41           HD1      HIS  41 105.065   3.792  -3.018
  285    HD2  HIS  41           HD2      HIS  41 107.679   0.742  -4.078
  286    HE1  HIS  41           HE1      HIS  41 104.533   3.252  -5.415
  287    HE2  HIS  41           HE2      HIS  41 106.187   1.466  -6.061
  288    H    LEU  42           H        LEU  42 109.701   3.810   0.341
  289    HA   LEU  42           HA       LEU  42 108.046   4.037   2.678
  290   1HB   LEU  42          1HB       LEU  42 111.039   4.110   2.284
  291   2HB   LEU  42          2HB       LEU  42 110.232   4.084   3.848
  292    HG   LEU  42           HG       LEU  42 109.339   1.896   2.175
  293   1HD1  LEU  42          1HD1      LEU  42 112.168   2.495   2.124
  294   2HD1  LEU  42          2HD1      LEU  42 111.251   1.283   1.232
  295   3HD1  LEU  42          3HD1      LEU  42 111.842   0.920   2.861
  296   1HD2  LEU  42          1HD2      LEU  42 109.116   2.244   4.637
  297   2HD2  LEU  42          2HD2      LEU  42 110.836   1.876   4.766
  298   3HD2  LEU  42          3HD2      LEU  42 109.716   0.663   4.141
  299    H    SER  43           H        SER  43 107.910   5.809   4.025
  300    HA   SER  43           HA       SER  43 108.171   8.369   2.782
  301   1HB   SER  43          1HB       SER  43 107.234   9.270   4.829
  302   2HB   SER  43          2HB       SER  43 106.356   7.797   4.400
  303    HG   SER  43           HG       SER  43 107.135   6.818   6.118
  304    H    ALA  44           H        ALA  44 109.248  10.219   4.011
  305    HA   ALA  44           HA       ALA  44 111.998   9.868   4.036
  306   1HB   ALA  44          1HB       ALA  44 110.419  11.971   5.520
  307   2HB   ALA  44          2HB       ALA  44 110.946  12.063   3.839
  308   3HB   ALA  44          3HB       ALA  44 112.139  12.052   5.138
  309    H    GLU  45           H        GLU  45 109.690   9.487   6.652
  310    HA   GLU  45           HA       GLU  45 111.647   9.252   8.730
  311   1HB   GLU  45          1HB       GLU  45 109.185   7.823   9.304
  312   2HB   GLU  45          2HB       GLU  45 109.882   9.210  10.117
  313   1HG   GLU  45          1HG       GLU  45 108.892  10.635   8.295
  314   2HG   GLU  45          2HG       GLU  45 108.029   9.194   7.759
  315    H    ASP  46           H        ASP  46 109.577   6.917   7.038
  316    HA   ASP  46           HA       ASP  46 110.597   4.576   8.126
  317   1HB   ASP  46          1HB       ASP  46 109.354   5.153   5.439
  318   2HB   ASP  46          2HB       ASP  46 109.833   3.524   5.919
  319    H    PHE  47           H        PHE  47 111.593   6.164   5.065
  320    HA   PHE  47           HA       PHE  47 113.589   4.341   4.406
  321   1HB   PHE  47          1HB       PHE  47 112.528   6.238   3.004
  322   2HB   PHE  47          2HB       PHE  47 113.799   7.250   3.702
  323    HD1  PHE  47           HD1      PHE  47 113.523   3.838   2.263
  324    HD2  PHE  47           HD2      PHE  47 115.630   7.524   2.373
  325    HE1  PHE  47           HE1      PHE  47 115.126   2.972   0.591
  326    HE2  PHE  47           HE2      PHE  47 117.230   6.674   0.706
  327    HZ   PHE  47           HZ       PHE  47 116.978   4.398  -0.186
  328    H    SER  48           H        SER  48 114.012   7.558   5.930
  329    HA   SER  48           HA       SER  48 116.772   7.239   6.359
  330   1HB   SER  48          1HB       SER  48 115.317   9.388   6.436
  331   2HB   SER  48          2HB       SER  48 115.067   8.972   8.131
  332    HG   SER  48           HG       SER  48 117.131   9.373   8.554
  333    H    ARG  49           H        ARG  49 114.153   5.769   7.969
  334    HA   ARG  49           HA       ARG  49 115.581   5.407  10.481
  335   1HB   ARG  49          1HB       ARG  49 113.213   5.861  10.637
  336   2HB   ARG  49          2HB       ARG  49 112.842   4.533   9.548
  337   1HG   ARG  49          1HG       ARG  49 112.363   3.535  11.522
  338   2HG   ARG  49          2HG       ARG  49 114.077   3.129  11.420
  339   1HD   ARG  49          1HD       ARG  49 114.661   4.927  12.888
  340   2HD   ARG  49          2HD       ARG  49 113.011   5.559  12.849
  341    HE   ARG  49           HE       ARG  49 113.157   2.872  13.838
  342   1HH1  ARG  49          1HH1      ARG  49 113.488   6.241  14.737
  343   2HH1  ARG  49          2HH1      ARG  49 113.126   5.957  16.406
  344   1HH2  ARG  49          1HH2      ARG  49 112.683   2.506  16.038
  345   2HH2  ARG  49          2HH2      ARG  49 112.670   3.838  17.145
  346    H    VAL  50           H        VAL  50 114.415   3.477   7.739
  347    HA   VAL  50           HA       VAL  50 115.534   1.030   8.810
  348    HB   VAL  50           HB       VAL  50 114.443   1.423   6.026
  349   1HG1  VAL  50          1HG1      VAL  50 115.740  -0.679   6.815
  350   2HG1  VAL  50          2HG1      VAL  50 114.239  -0.869   5.909
  351   3HG1  VAL  50          3HG1      VAL  50 114.244  -1.067   7.661
  352   1HG2  VAL  50          1HG2      VAL  50 112.715   0.336   8.181
  353   2HG2  VAL  50          2HG2      VAL  50 112.283   1.190   6.700
  354   3HG2  VAL  50          3HG2      VAL  50 112.918   2.084   8.082
  355    H    PHE  51           H        PHE  51 116.374   3.416   6.352
  356    HA   PHE  51           HA       PHE  51 118.716   1.811   5.597
  357   1HB   PHE  51          1HB       PHE  51 117.539   4.220   4.201
  358   2HB   PHE  51          2HB       PHE  51 118.835   3.187   3.597
  359    HD1  PHE  51           HD1      PHE  51 118.342   1.333   2.294
  360    HD2  PHE  51           HD2      PHE  51 115.245   3.133   4.575
  361    HE1  PHE  51           HE1      PHE  51 116.691  -0.084   1.159
  362    HE2  PHE  51           HE2      PHE  51 113.588   1.719   3.450
  363    HZ   PHE  51           HZ       PHE  51 114.310   0.116   1.732
  364    H    ALA  52           H        ALA  52 117.793   5.008   6.800
  365    HA   ALA  52           HA       ALA  52 118.997   6.524   8.037
  366   1HB   ALA  52          1HB       ALA  52 121.506   4.948   7.623
  367   2HB   ALA  52          2HB       ALA  52 120.292   4.443   8.799
  368   3HB   ALA  52          3HB       ALA  52 121.077   6.015   8.959
  369    H    MET  53           H        MET  53 118.961   6.126   4.964
  370    HA   MET  53           HA       MET  53 120.807   8.328   4.348
  371   1HB   MET  53          1HB       MET  53 120.821   6.931   2.022
  372   2HB   MET  53          2HB       MET  53 122.089   6.859   3.241
  373   1HG   MET  53          1HG       MET  53 121.560   4.763   3.871
  374   2HG   MET  53          2HG       MET  53 119.828   5.007   3.623
  375   1HE   MET  53          1HE       MET  53 118.990   5.598   1.166
  376   2HE   MET  53          2HE       MET  53 119.629   4.819  -0.281
  377   3HE   MET  53          3HE       MET  53 120.432   6.236   0.376
  378    H    SER  54           H        SER  54 120.224   9.529   2.471
  379    HA   SER  54           HA       SER  54 117.453  10.119   2.416
  380   1HB   SER  54          1HB       SER  54 119.814  11.047   0.780
  381   2HB   SER  54          2HB       SER  54 118.175  11.662   0.511
  382    HG   SER  54           HG       SER  54 118.239  12.706   2.384
  383    HA   PRO  55           HA       PRO  55 115.821   7.421  -0.709
  384   1HB   PRO  55          1HB       PRO  55 114.528   9.898  -1.760
  385   2HB   PRO  55          2HB       PRO  55 113.802   8.337  -1.360
  386   1HG   PRO  55          1HG       PRO  55 113.499  10.441   0.253
  387   2HG   PRO  55          2HG       PRO  55 113.716   8.804   0.908
  388   1HD   PRO  55          1HD       PRO  55 115.650  11.070   0.781
  389   2HD   PRO  55          2HD       PRO  55 115.475   9.797   2.010
  390    H    GLU  56           H        GLU  56 117.122  10.590  -1.574
  391    HA   GLU  56           HA       GLU  56 117.655   9.923  -4.307
  392   1HB   GLU  56          1HB       GLU  56 118.654  12.054  -4.484
  393   2HB   GLU  56          2HB       GLU  56 117.341  12.267  -3.328
  394   1HG   GLU  56          1HG       GLU  56 118.939  12.132  -1.484
  395   2HG   GLU  56          2HG       GLU  56 120.256  11.924  -2.645
  396    H    GLU  57           H        GLU  57 119.423   9.818  -1.258
  397    HA   GLU  57           HA       GLU  57 122.009   9.423  -2.166
  398   1HB   GLU  57          1HB       GLU  57 120.565   8.816   0.360
  399   2HB   GLU  57          2HB       GLU  57 121.933   7.764   0.022
  400   1HG   GLU  57          1HG       GLU  57 123.372   9.733  -0.235
  401   2HG   GLU  57          2HG       GLU  57 121.998  10.763   0.164
  402    H    PHE  58           H        PHE  58 119.576   6.901  -1.415
  403    HA   PHE  58           HA       PHE  58 120.881   4.591  -2.083
  404   1HB   PHE  58          1HB       PHE  58 118.317   5.199  -1.494
  405   2HB   PHE  58          2HB       PHE  58 118.132   4.907  -3.221
  406    HD1  PHE  58           HD1      PHE  58 118.499   3.422   0.033
  407    HD2  PHE  58           HD2      PHE  58 118.781   2.669  -4.145
  408    HE1  PHE  58           HE1      PHE  58 118.338   1.019   0.466
  409    HE2  PHE  58           HE2      PHE  58 118.614   0.249  -3.714
  410    HZ   PHE  58           HZ       PHE  58 118.391  -0.576  -1.400
  411    H    GLY  59           H        GLY  59 119.030   6.552  -4.453
  412   1HA   GLY  59          1HA       GLY  59 119.715   5.079  -6.724
  413   2HA   GLY  59          2HA       GLY  59 119.251   6.773  -6.728
  414    H    LYS  60           H        LYS  60 121.509   7.595  -5.049
  415    HA   LYS  60           HA       LYS  60 123.527   7.695  -7.147
  416   1HB   LYS  60          1HB       LYS  60 123.237   9.220  -4.555
  417   2HB   LYS  60          2HB       LYS  60 124.563   9.447  -5.695
  418   1HG   LYS  60          1HG       LYS  60 123.048  10.226  -7.387
  419   2HG   LYS  60          2HG       LYS  60 121.652   9.848  -6.367
  420   1HD   LYS  60          1HD       LYS  60 122.216  11.558  -4.818
  421   2HD   LYS  60          2HD       LYS  60 123.803  11.795  -5.553
  422   1HE   LYS  60          1HE       LYS  60 122.348  12.324  -7.690
  423   2HE   LYS  60          2HE       LYS  60 121.119  12.691  -6.481
  424   1HZ   LYS  60          1HZ       LYS  60 122.390  14.654  -7.093
  425   2HZ   LYS  60          2HZ       LYS  60 123.827  13.906  -6.608
  426   3HZ   LYS  60          3HZ       LYS  60 122.635  14.268  -5.463
  427    H    LEU  61           H        LEU  61 122.969   5.563  -4.704
  428    HA   LEU  61           HA       LEU  61 125.588   5.400  -3.581
  429   1HB   LEU  61          1HB       LEU  61 123.155   3.603  -3.443
  430   2HB   LEU  61          2HB       LEU  61 124.619   3.320  -2.532
  431    HG   LEU  61           HG       LEU  61 122.650   5.535  -2.186
  432   1HD1  LEU  61          1HD1      LEU  61 123.695   3.321  -0.471
  433   2HD1  LEU  61          2HD1      LEU  61 122.042   3.607  -1.014
  434   3HD1  LEU  61          3HD1      LEU  61 122.781   4.686   0.169
  435   1HD2  LEU  61          1HD2      LEU  61 124.243   6.328  -0.379
  436   2HD2  LEU  61          2HD2      LEU  61 124.700   6.693  -2.043
  437   3HD2  LEU  61          3HD2      LEU  61 125.477   5.361  -1.188
  438    H    ALA  62           H        ALA  62 125.300   2.349  -3.806
  439    HA   ALA  62           HA       ALA  62 126.266   2.028  -6.557
  440   1HB   ALA  62          1HB       ALA  62 127.515   0.637  -4.201
  441   2HB   ALA  62          2HB       ALA  62 128.133   2.138  -4.886
  442   3HB   ALA  62          3HB       ALA  62 128.086   0.674  -5.868
  443    H    LEU  63           H        LEU  63 126.383  -0.360  -7.179
  444    HA   LEU  63           HA       LEU  63 123.806  -1.497  -6.884
  445   1HB   LEU  63          1HB       LEU  63 125.459  -1.733  -8.815
  446   2HB   LEU  63          2HB       LEU  63 126.234  -2.979  -7.851
  447    HG   LEU  63           HG       LEU  63 123.408  -3.486  -7.998
  448   1HD1  LEU  63          1HD1      LEU  63 124.813  -3.237 -10.652
  449   2HD1  LEU  63          2HD1      LEU  63 123.485  -2.226 -10.082
  450   3HD1  LEU  63          3HD1      LEU  63 123.219  -3.943 -10.381
  451   1HD2  LEU  63          1HD2      LEU  63 124.102  -5.642  -8.443
  452   2HD2  LEU  63          2HD2      LEU  63 125.487  -4.982  -7.570
  453   3HD2  LEU  63          3HD2      LEU  63 125.532  -5.112  -9.329
  454    H    TRP  64           H        TRP  64 126.816  -2.048  -5.177
  455    HA   TRP  64           HA       TRP  64 125.882  -4.460  -3.926
  456   1HB   TRP  64          1HB       TRP  64 128.069  -4.181  -2.677
  457   2HB   TRP  64          2HB       TRP  64 128.223  -4.328  -4.434
  458    HD1  TRP  64           HD1      TRP  64 129.241  -2.254  -5.705
  459    HE1  TRP  64           HE1      TRP  64 130.197  -0.003  -4.931
  460    HE3  TRP  64           HE3      TRP  64 127.629  -2.407  -1.030
  461    HZ2  TRP  64           HZ2      TRP  64 130.249   1.507  -2.475
  462    HZ3  TRP  64           HZ3      TRP  64 128.167  -0.526   0.522
  463    HH2  TRP  64           HH2      TRP  64 129.429   1.382  -0.207
  464    H    LYS  65           H        LYS  65 126.192  -1.056  -3.363
  465    HA   LYS  65           HA       LYS  65 125.597  -1.079  -0.570
  466   1HB   LYS  65          1HB       LYS  65 126.616   0.809  -2.124
  467   2HB   LYS  65          2HB       LYS  65 124.924   1.274  -2.288
  468   1HG   LYS  65          1HG       LYS  65 124.716   1.784  -0.025
  469   2HG   LYS  65          2HG       LYS  65 126.168   0.869   0.408
  470   1HD   LYS  65          1HD       LYS  65 127.573   2.506  -0.674
  471   2HD   LYS  65          2HD       LYS  65 126.155   3.382  -1.267
  472   1HE   LYS  65          1HE       LYS  65 126.789   4.621   0.591
  473   2HE   LYS  65          2HE       LYS  65 125.516   3.570   1.232
  474   1HZ   LYS  65          1HZ       LYS  65 127.465   3.679   2.686
  475   2HZ   LYS  65          2HZ       LYS  65 128.436   3.047   1.454
  476   3HZ   LYS  65          3HZ       LYS  65 127.198   2.106   2.122
  477    H    ARG  66           H        ARG  66 123.633  -0.018  -3.364
  478    HA   ARG  66           HA       ARG  66 121.186   0.273  -2.158
  479   1HB   ARG  66          1HB       ARG  66 121.752  -0.883  -4.893
  480   2HB   ARG  66          2HB       ARG  66 120.185  -0.286  -4.358
  481   1HG   ARG  66          1HG       ARG  66 121.114   1.935  -4.065
  482   2HG   ARG  66          2HG       ARG  66 122.700   1.336  -4.557
  483   1HD   ARG  66          1HD       ARG  66 120.399   0.903  -6.393
  484   2HD   ARG  66          2HD       ARG  66 121.071   2.536  -6.257
  485    HE   ARG  66           HE       ARG  66 122.807   0.242  -6.880
  486   1HH1  ARG  66          1HH1      ARG  66 121.478   3.364  -7.779
  487   2HH1  ARG  66          2HH1      ARG  66 122.575   3.579  -9.099
  488   1HH2  ARG  66          1HH2      ARG  66 124.240   0.542  -8.620
  489   2HH2  ARG  66          2HH2      ARG  66 124.139   1.982  -9.577
  490    H    ASN  67           H        ASN  67 122.676  -2.667  -3.395
  491    HA   ASN  67           HA       ASN  67 120.530  -4.423  -2.860
  492   1HB   ASN  67          1HB       ASN  67 123.406  -4.699  -3.453
  493   2HB   ASN  67          2HB       ASN  67 122.724  -6.026  -2.511
  494   1HD2  ASN  67          1HD2      ASN  67 122.264  -4.128  -5.459
  495   2HD2  ASN  67          2HD2      ASN  67 121.522  -5.397  -6.368
  496    H    GLU  68           H        GLU  68 123.531  -4.127  -0.954
  497    HA   GLU  68           HA       GLU  68 122.873  -5.513   1.281
  498   1HB   GLU  68          1HB       GLU  68 124.617  -3.129   0.828
  499   2HB   GLU  68          2HB       GLU  68 124.354  -3.694   2.472
  500   1HG   GLU  68          1HG       GLU  68 125.623  -5.527   2.192
  501   2HG   GLU  68          2HG       GLU  68 125.096  -5.771   0.528
  502    H    LEU  69           H        LEU  69 121.900  -2.177   0.536
  503    HA   LEU  69           HA       LEU  69 120.830  -1.602   3.094
  504   1HB   LEU  69          1HB       LEU  69 119.900  -0.434   0.485
  505   2HB   LEU  69          2HB       LEU  69 119.742   0.266   2.084
  506    HG   LEU  69           HG       LEU  69 122.433  -0.319   1.074
  507   1HD1  LEU  69          1HD1      LEU  69 122.515   1.301  -0.467
  508   2HD1  LEU  69          2HD1      LEU  69 121.413   2.342   0.433
  509   3HD1  LEU  69          3HD1      LEU  69 120.777   1.027  -0.548
  510   1HD2  LEU  69          1HD2      LEU  69 122.313   0.457   3.314
  511   2HD2  LEU  69          2HD2      LEU  69 121.222   1.767   2.861
  512   3HD2  LEU  69          3HD2      LEU  69 122.906   1.799   2.336
  513    H    LYS  70           H        LYS  70 119.193  -2.338   0.056
  514    HA   LYS  70           HA       LYS  70 116.614  -2.839   1.106
  515   1HB   LYS  70          1HB       LYS  70 118.110  -3.575  -1.367
  516   2HB   LYS  70          2HB       LYS  70 116.639  -4.469  -1.010
  517   1HG   LYS  70          1HG       LYS  70 115.341  -2.446  -1.021
  518   2HG   LYS  70          2HG       LYS  70 116.803  -1.469  -1.196
  519   1HD   LYS  70          1HD       LYS  70 116.196  -1.544  -3.383
  520   2HD   LYS  70          2HD       LYS  70 117.108  -3.053  -3.323
  521   1HE   LYS  70          1HE       LYS  70 115.141  -4.350  -3.160
  522   2HE   LYS  70          2HE       LYS  70 114.149  -2.936  -2.801
  523   1HZ   LYS  70          1HZ       LYS  70 114.519  -2.139  -5.044
  524   2HZ   LYS  70          2HZ       LYS  70 113.857  -3.694  -5.082
  525   3HZ   LYS  70          3HZ       LYS  70 115.504  -3.471  -5.391
  526    H    LYS  71           H        LYS  71 119.540  -4.695   1.099
  527    HA   LYS  71           HA       LYS  71 118.312  -7.215   1.733
  528   1HB   LYS  71          1HB       LYS  71 121.144  -6.209   1.454
  529   2HB   LYS  71          2HB       LYS  71 120.807  -7.820   2.107
  530   1HG   LYS  71          1HG       LYS  71 119.784  -8.514   0.092
  531   2HG   LYS  71          2HG       LYS  71 119.721  -6.858  -0.521
  532   1HD   LYS  71          1HD       LYS  71 121.633  -7.318  -1.582
  533   2HD   LYS  71          2HD       LYS  71 122.411  -7.270   0.001
  534   1HE   LYS  71          1HE       LYS  71 121.138  -9.772  -1.070
  535   2HE   LYS  71          2HE       LYS  71 122.802  -9.337  -1.458
  536   1HZ   LYS  71          1HZ       LYS  71 122.800 -10.792   0.418
  537   2HZ   LYS  71          2HZ       LYS  71 121.678  -9.834   1.245
  538   3HZ   LYS  71          3HZ       LYS  71 123.240  -9.251   0.961
  539    H    LYS  72           H        LYS  72 119.689  -4.554   3.535
  540    HA   LYS  72           HA       LYS  72 119.646  -6.069   6.016
  541   1HB   LYS  72          1HB       LYS  72 121.633  -4.793   5.798
  542   2HB   LYS  72          2HB       LYS  72 120.751  -3.373   5.256
  543   1HG   LYS  72          1HG       LYS  72 120.019  -4.301   7.940
  544   2HG   LYS  72          2HG       LYS  72 121.694  -3.761   7.773
  545   1HD   LYS  72          1HD       LYS  72 121.036  -1.637   7.805
  546   2HD   LYS  72          2HD       LYS  72 119.994  -1.916   6.410
  547   1HE   LYS  72          1HE       LYS  72 118.145  -1.917   7.667
  548   2HE   LYS  72          2HE       LYS  72 118.870  -2.978   8.874
  549   1HZ   LYS  72          1HZ       LYS  72 118.289  -0.827   9.809
  550   2HZ   LYS  72          2HZ       LYS  72 119.284  -0.042   8.689
  551   3HZ   LYS  72          3HZ       LYS  72 119.964  -1.062   9.854
  552    H    ALA  73           H        ALA  73 118.008  -3.559   4.287
  553    HA   ALA  73           HA       ALA  73 116.428  -2.583   6.455
  554   1HB   ALA  73          1HB       ALA  73 116.769  -2.034   3.602
  555   2HB   ALA  73          2HB       ALA  73 116.461  -0.930   4.941
  556   3HB   ALA  73          3HB       ALA  73 115.123  -1.801   4.191
  557    H    GLU  74           H        GLU  74 116.351  -5.545   5.094
  558    HA   GLU  74           HA       GLU  74 114.857  -7.246   5.169
  559   1HB   GLU  74          1HB       GLU  74 112.971  -5.221   6.384
  560   2HB   GLU  74          2HB       GLU  74 112.713  -6.954   6.338
  561   1HG   GLU  74          1HG       GLU  74 114.980  -7.070   7.592
  562   2HG   GLU  74          2HG       GLU  74 114.656  -5.377   7.962
  563    H    LEU  75           H        LEU  75 114.881  -5.002   2.995
  564    HA   LEU  75           HA       LEU  75 112.634  -6.137   1.552
  565   1HB   LEU  75          1HB       LEU  75 112.669  -3.470   0.725
  566   2HB   LEU  75          2HB       LEU  75 111.388  -4.310   1.599
  567    HG   LEU  75           HG       LEU  75 113.137  -3.580   3.583
  568   1HD1  LEU  75          1HD1      LEU  75 114.521  -2.200   2.265
  569   2HD1  LEU  75          2HD1      LEU  75 113.442  -1.112   3.146
  570   3HD1  LEU  75          3HD1      LEU  75 113.136  -1.477   1.442
  571   1HD2  LEU  75          1HD2      LEU  75 111.403  -1.591   3.747
  572   2HD2  LEU  75          2HD2      LEU  75 110.937  -3.259   4.076
  573   3HD2  LEU  75          3HD2      LEU  75 110.577  -2.535   2.508
  574    H    PHE  76           H        PHE  76 114.600  -7.273   0.726
  575    HA   PHE  76           HA       PHE  76 115.696  -5.764  -1.561
  576   1HB   PHE  76          1HB       PHE  76 117.693  -6.238  -0.618
  577   2HB   PHE  76          2HB       PHE  76 117.018  -7.507   0.410
  578    HD1  PHE  76           HD1      PHE  76 117.242  -9.783  -0.177
  579    HD2  PHE  76           HD2      PHE  76 118.311  -6.757  -2.973
  580    HE1  PHE  76           HE1      PHE  76 118.302 -11.482  -1.605
  581    HE2  PHE  76           HE2      PHE  76 119.371  -8.451  -4.406
  582    HZ   PHE  76           HZ       PHE  76 119.367 -10.817  -3.724
  Start of MODEL    2
    1    HT1  PRO   9           HT1      PRO   9  99.976  13.551  -9.846
    2    HT2  PRO   9           HT2      PRO   9 100.688  12.144  -9.376
    3    HA   PRO   9           HA       PRO   9 101.754  14.506  -9.522
    4   1HB   PRO   9          1HB       PRO   9 102.072  14.125  -6.662
    5   2HB   PRO   9          2HB       PRO   9 101.619  15.585  -7.550
    6   1HG   PRO   9          1HG       PRO   9  99.876  14.200  -5.987
    7   2HG   PRO   9          2HG       PRO   9  99.378  15.138  -7.407
    8   1HD   PRO   9          1HD       PRO   9  99.819  12.177  -7.151
    9   2HD   PRO   9          2HD       PRO   9  98.503  13.048  -7.963
   10    H    GLY  10           H        GLY  10 101.927  11.800  -7.191
   11   1HA   GLY  10          1HA       GLY  10 104.342  10.838  -8.525
   12   2HA   GLY  10          2HA       GLY  10 104.506  11.316  -6.844
   13    H    LEU  11           H        LEU  11 104.643   9.595  -5.634
   14    HA   LEU  11           HA       LEU  11 102.835   7.344  -6.189
   15   1HB   LEU  11          1HB       LEU  11 104.549   5.926  -5.104
   16   2HB   LEU  11          2HB       LEU  11 105.067   6.652  -6.612
   17    HG   LEU  11           HG       LEU  11 105.886   8.446  -4.623
   18   1HD1  LEU  11          1HD1      LEU  11 107.045   5.847  -3.809
   19   2HD1  LEU  11          2HD1      LEU  11 105.428   6.231  -3.218
   20   3HD1  LEU  11          3HD1      LEU  11 106.775   7.317  -2.871
   21   1HD2  LEU  11          1HD2      LEU  11 108.008   8.059  -5.487
   22   2HD2  LEU  11          2HD2      LEU  11 106.941   7.617  -6.820
   23   3HD2  LEU  11          3HD2      LEU  11 107.669   6.360  -5.820
   24    H    GLN  12           H        GLN  12 102.310   6.021  -4.248
   25    HA   GLN  12           HA       GLN  12 101.596   7.804  -2.057
   26   1HB   GLN  12          1HB       GLN  12 100.448   5.499  -1.315
   27   2HB   GLN  12          2HB       GLN  12  99.696   6.621  -2.437
   28   1HG   GLN  12          1HG       GLN  12 101.445   4.433  -3.468
   29   2HG   GLN  12          2HG       GLN  12  99.784   4.089  -2.985
   30   1HE2  GLN  12          1HE2      GLN  12 101.427   4.386  -5.611
   31   2HE2  GLN  12          2HE2      GLN  12 100.353   5.280  -6.627
   32    H    ILE  13           H        ILE  13 102.463   7.763  -0.084
   33    HA   ILE  13           HA       ILE  13 104.663   5.903   0.397
   34    HB   ILE  13           HB       ILE  13 103.948   8.158   2.236
   35   1HG1  ILE  13          1HG1      ILE  13 104.029   9.003  -0.140
   36   2HG1  ILE  13          2HG1      ILE  13 105.226   9.709   0.940
   37   1HG2  ILE  13          1HG2      ILE  13 106.402   6.576   1.571
   38   2HG2  ILE  13          2HG2      ILE  13 105.643   6.849   3.141
   39   3HG2  ILE  13          3HG2      ILE  13 106.525   8.155   2.347
   40   1HD1  ILE  13          1HD1      ILE  13 106.211   9.220  -1.205
   41   2HD1  ILE  13          2HD1      ILE  13 105.717   7.532  -1.073
   42   3HD1  ILE  13          3HD1      ILE  13 106.920   8.190   0.038
   43    H    TYR  14           H        TYR  14 104.385   4.167   1.639
   44    HA   TYR  14           HA       TYR  14 102.241   4.213   3.664
   45   1HB   TYR  14          1HB       TYR  14 103.141   1.868   1.976
   46   2HB   TYR  14          2HB       TYR  14 101.921   1.801   3.247
   47    HD1  TYR  14           HD1      TYR  14 102.478   2.234  -0.212
   48    HD2  TYR  14           HD2      TYR  14  99.894   3.424   2.951
   49    HE1  TYR  14           HE1      TYR  14 100.747   2.820  -1.855
   50    HE2  TYR  14           HE2      TYR  14  98.154   4.013   1.317
   51    HH   TYR  14           HH       TYR  14  97.507   3.590  -0.919
   52    HA   PRO  15           HA       PRO  15 104.897   3.026   6.966
   53   1HB   PRO  15          1HB       PRO  15 103.486   0.389   7.052
   54   2HB   PRO  15          2HB       PRO  15 103.849   1.516   8.370
   55   1HG   PRO  15          1HG       PRO  15 101.395   1.380   7.359
   56   2HG   PRO  15          2HG       PRO  15 102.106   2.944   7.802
   57   1HD   PRO  15          1HD       PRO  15 101.679   1.750   5.107
   58   2HD   PRO  15          2HD       PRO  15 101.615   3.452   5.612
   59    H    TYR  16           H        TYR  16 106.548   1.436   7.636
   60    HA   TYR  16           HA       TYR  16 107.877   0.357   5.312
   61   1HB   TYR  16          1HB       TYR  16 109.368   1.467   6.698
   62   2HB   TYR  16          2HB       TYR  16 108.611   0.863   8.170
   63    HD1  TYR  16           HD1      TYR  16 109.296  -1.163   9.159
   64    HD2  TYR  16           HD2      TYR  16 110.873  -0.006   5.388
   65    HE1  TYR  16           HE1      TYR  16 111.012  -2.920   9.347
   66    HE2  TYR  16           HE2      TYR  16 112.593  -1.756   5.548
   67    HH   TYR  16           HH       TYR  16 113.702  -3.027   7.828
   68    H    GLU  17           H        GLU  17 107.025  -0.961   8.524
   69    HA   GLU  17           HA       GLU  17 107.613  -3.612   8.125
   70   1HB   GLU  17          1HB       GLU  17 106.009  -2.092   9.959
   71   2HB   GLU  17          2HB       GLU  17 105.158  -3.574   9.547
   72   1HG   GLU  17          1HG       GLU  17 106.571  -4.849  10.709
   73   2HG   GLU  17          2HG       GLU  17 107.989  -3.975  10.123
   74    H    MET  18           H        MET  18 104.936  -1.810   6.795
   75    HA   MET  18           HA       MET  18 103.558  -4.194   5.884
   76   1HB   MET  18          1HB       MET  18 103.051  -1.245   5.487
   77   2HB   MET  18          2HB       MET  18 102.075  -2.494   4.723
   78   1HG   MET  18          1HG       MET  18 102.053  -3.272   7.340
   79   2HG   MET  18          2HG       MET  18 102.062  -1.512   7.470
   80   1HE   MET  18          1HE       MET  18  99.326  -4.432   5.663
   81   2HE   MET  18          2HE       MET  18  98.850  -4.160   7.339
   82   3HE   MET  18          3HE       MET  18 100.515  -4.595   6.955
   83    H    LEU  19           H        LEU  19 105.788  -1.819   4.679
   84    HA   LEU  19           HA       LEU  19 105.522  -2.732   1.931
   85   1HB   LEU  19          1HB       LEU  19 107.019  -0.516   3.279
   86   2HB   LEU  19          2HB       LEU  19 107.386  -0.971   1.623
   87    HG   LEU  19           HG       LEU  19 104.672  -0.080   2.599
   88   1HD1  LEU  19          1HD1      LEU  19 105.144   1.998   1.393
   89   2HD1  LEU  19          2HD1      LEU  19 106.782   1.433   1.065
   90   3HD1  LEU  19          3HD1      LEU  19 106.273   1.746   2.725
   91   1HD2  LEU  19          1HD2      LEU  19 104.931  -1.642   0.575
   92   2HD2  LEU  19          2HD2      LEU  19 105.612  -0.235  -0.233
   93   3HD2  LEU  19          3HD2      LEU  19 103.963  -0.182   0.393
   94    H    VAL  20           H        VAL  20 106.941  -4.081   4.456
   95    HA   VAL  20           HA       VAL  20 109.629  -4.451   3.637
   96    HB   VAL  20           HB       VAL  20 107.964  -6.280   5.378
   97   1HG1  VAL  20          1HG1      VAL  20 110.332  -6.489   6.449
   98   2HG1  VAL  20          2HG1      VAL  20 110.882  -5.991   4.849
   99   3HG1  VAL  20          3HG1      VAL  20 109.916  -7.456   5.033
  100   1HG2  VAL  20          1HG2      VAL  20 109.504  -3.784   6.023
  101   2HG2  VAL  20          2HG2      VAL  20 108.985  -4.950   7.239
  102   3HG2  VAL  20          3HG2      VAL  20 107.791  -4.096   6.267
  103    H    VAL  21           H        VAL  21 110.487  -6.724   3.017
  104    HA   VAL  21           HA       VAL  21 108.827  -7.611   0.773
  105    HB   VAL  21           HB       VAL  21 111.762  -8.027   1.315
  106   1HG1  VAL  21          1HG1      VAL  21 111.250  -8.392  -1.399
  107   2HG1  VAL  21          2HG1      VAL  21 109.977  -9.288  -0.570
  108   3HG1  VAL  21          3HG1      VAL  21 111.671  -9.633  -0.218
  109   1HG2  VAL  21          1HG2      VAL  21 110.393  -6.194  -0.649
  110   2HG2  VAL  21          2HG2      VAL  21 112.130  -6.359  -0.394
  111   3HG2  VAL  21          3HG2      VAL  21 111.113  -5.692   0.882
  112    H    THR  22           H        THR  22 111.206  -9.327   2.838
  113    HA   THR  22           HA       THR  22 109.492 -11.701   2.614
  114    HB   THR  22           HB       THR  22 112.426 -11.457   3.282
  115    HG1  THR  22           HG1      THR  22 111.056 -12.395   0.986
  116   1HG2  THR  22          1HG2      THR  22 111.439 -13.411   4.391
  117   2HG2  THR  22          2HG2      THR  22 112.565 -13.856   3.109
  118   3HG2  THR  22          3HG2      THR  22 110.826 -13.965   2.833
  119    H    ASN  23           H        ASN  23 111.478  -9.992   4.983
  120    HA   ASN  23           HA       ASN  23 111.110 -11.421   7.237
  121   1HB   ASN  23          1HB       ASN  23 111.034  -8.410   7.003
  122   2HB   ASN  23          2HB       ASN  23 111.319  -9.303   8.500
  123   1HD2  ASN  23          1HD2      ASN  23 112.589  -8.551   5.326
  124   2HD2  ASN  23          2HD2      ASN  23 114.229  -8.973   5.668
  125    H    LYS  24           H        LYS  24 108.621  -9.568   5.635
  126    HA   LYS  24           HA       LYS  24 106.788 -10.255   7.840
  127   1HB   LYS  24          1HB       LYS  24 107.132  -7.793   6.280
  128   2HB   LYS  24          2HB       LYS  24 105.457  -8.319   6.435
  129   1HG   LYS  24          1HG       LYS  24 105.505  -7.175   8.353
  130   2HG   LYS  24          2HG       LYS  24 106.336  -8.597   8.988
  131   1HD   LYS  24          1HD       LYS  24 107.750  -6.240   7.760
  132   2HD   LYS  24          2HD       LYS  24 107.455  -6.409   9.491
  133   1HE   LYS  24          1HE       LYS  24 108.581  -8.785   9.014
  134   2HE   LYS  24          2HE       LYS  24 109.347  -7.854   7.727
  135   1HZ   LYS  24          1HZ       LYS  24 110.802  -7.374   9.353
  136   2HZ   LYS  24          2HZ       LYS  24 109.706  -7.687  10.602
  137   3HZ   LYS  24          3HZ       LYS  24 109.660  -6.204   9.790
  138    H    GLY  25           H        GLY  25 107.557 -11.887   5.491
  139   1HA   GLY  25          1HA       GLY  25 106.002 -13.550   4.646
  140   2HA   GLY  25          2HA       GLY  25 104.834 -12.258   4.417
  141    H    ARG  26           H        ARG  26 104.631 -11.445   2.437
  142    HA   ARG  26           HA       ARG  26 106.897 -11.622   0.586
  143   1HB   ARG  26          1HB       ARG  26 104.199 -12.147  -0.539
  144   2HB   ARG  26          2HB       ARG  26 105.762 -12.781  -1.022
  145   1HG   ARG  26          1HG       ARG  26 104.698 -14.652  -0.202
  146   2HG   ARG  26          2HG       ARG  26 105.645 -14.117   1.187
  147   1HD   ARG  26          1HD       ARG  26 103.651 -14.393   2.237
  148   2HD   ARG  26          2HD       ARG  26 103.410 -12.742   1.667
  149    HE   ARG  26           HE       ARG  26 102.475 -14.333  -0.357
  150   1HH1  ARG  26          1HH1      ARG  26 101.766 -13.970   3.041
  151   2HH1  ARG  26          2HH1      ARG  26 100.106 -14.433   2.873
  152   1HH2  ARG  26          1HH2      ARG  26 100.292 -14.940  -0.581
  153   2HH2  ARG  26          2HH2      ARG  26  99.268 -14.985   0.816
  154    H    THR  27           H        THR  27 105.468 -10.596  -1.658
  155    HA   THR  27           HA       THR  27 105.681  -7.876  -1.258
  156    HB   THR  27           HB       THR  27 105.621  -8.381  -3.502
  157    HG1  THR  27           HG1      THR  27 104.242  -6.883  -3.930
  158   1HG2  THR  27          1HG2      THR  27 104.900 -10.386  -4.099
  159   2HG2  THR  27          2HG2      THR  27 103.295  -9.663  -4.215
  160   3HG2  THR  27          3HG2      THR  27 103.789 -10.482  -2.733
  161    H    LYS  28           H        LYS  28 102.437  -9.021  -2.089
  162    HA   LYS  28           HA       LYS  28 100.398  -8.346  -1.335
  163   1HB   LYS  28          1HB       LYS  28 101.969  -8.920   1.160
  164   2HB   LYS  28          2HB       LYS  28 100.247  -8.569   1.193
  165   1HG   LYS  28          1HG       LYS  28 100.375 -10.896   1.202
  166   2HG   LYS  28          2HG       LYS  28  99.983 -10.476  -0.466
  167   1HD   LYS  28          1HD       LYS  28 102.753 -10.449  -0.416
  168   2HD   LYS  28          2HD       LYS  28 102.322 -11.807   0.620
  169   1HE   LYS  28          1HE       LYS  28 102.597 -12.516  -1.700
  170   2HE   LYS  28          2HE       LYS  28 100.941 -12.751  -1.146
  171   1HZ   LYS  28          1HZ       LYS  28 101.947 -11.072  -3.248
  172   2HZ   LYS  28          2HZ       LYS  28 100.888 -10.261  -2.209
  173   3HZ   LYS  28          3HZ       LYS  28 100.384 -11.670  -2.996
  174    H    LEU  29           H        LEU  29 102.534  -6.252  -1.683
  175    HA   LEU  29           HA       LEU  29 102.428  -4.261   0.210
  176   1HB   LEU  29          1HB       LEU  29 103.035  -4.508  -2.664
  177   2HB   LEU  29          2HB       LEU  29 102.725  -2.890  -2.078
  178    HG   LEU  29           HG       LEU  29 104.826  -2.756  -1.509
  179   1HD1  LEU  29          1HD1      LEU  29 104.338  -5.075   0.347
  180   2HD1  LEU  29          2HD1      LEU  29 104.083  -3.372   0.730
  181   3HD1  LEU  29          3HD1      LEU  29 105.711  -3.973   0.422
  182   1HD2  LEU  29          1HD2      LEU  29 104.785  -5.462  -2.575
  183   2HD2  LEU  29          2HD2      LEU  29 106.155  -5.082  -1.528
  184   3HD2  LEU  29          3HD2      LEU  29 105.832  -4.094  -2.952
  185    HA   PRO  30           HA       PRO  30  98.649  -2.017   0.002
  186   1HB   PRO  30          1HB       PRO  30 100.268   0.395  -0.606
  187   2HB   PRO  30          2HB       PRO  30  99.145   0.103   0.728
  188   1HG   PRO  30          1HG       PRO  30 101.812   0.138   1.086
  189   2HG   PRO  30          2HG       PRO  30 100.743  -0.919   2.028
  190   1HD   PRO  30          1HD       PRO  30 102.598  -1.599  -0.201
  191   2HD   PRO  30          2HD       PRO  30 102.088  -2.569   1.192
  192    HA   PRO  31           HA       PRO  31  97.725  -1.069  -4.245
  193   1HB   PRO  31          1HB       PRO  31  96.505   1.332  -4.359
  194   2HB   PRO  31          2HB       PRO  31  95.751  -0.073  -3.590
  195   1HG   PRO  31          1HG       PRO  31  97.153   2.250  -2.339
  196   2HG   PRO  31          2HG       PRO  31  95.684   1.410  -1.812
  197   1HD   PRO  31          1HD       PRO  31  98.175   0.987  -0.740
  198   2HD   PRO  31          2HD       PRO  31  96.868  -0.211  -0.714
  199    H    GLY  32           H        GLY  32  99.538  -0.900  -5.478
  200   1HA   GLY  32          1HA       GLY  32 100.773   0.365  -7.049
  201   2HA   GLY  32          2HA       GLY  32 100.475   1.805  -6.089
  202    H    VAL  33           H        VAL  33 101.725  -1.277  -4.908
  203    HA   VAL  33           HA       VAL  33 104.398  -0.118  -4.596
  204    HB   VAL  33           HB       VAL  33 104.008  -1.527  -2.229
  205   1HG1  VAL  33          1HG1      VAL  33 104.297   1.344  -2.985
  206   2HG1  VAL  33          2HG1      VAL  33 105.470   0.265  -2.230
  207   3HG1  VAL  33          3HG1      VAL  33 104.104   0.880  -1.296
  208   1HG2  VAL  33          1HG2      VAL  33 101.674  -1.449  -2.227
  209   2HG2  VAL  33          2HG2      VAL  33 101.634   0.173  -2.914
  210   3HG2  VAL  33          3HG2      VAL  33 102.143  -0.064  -1.245
  211    H    ASP  34           H        ASP  34 105.900  -1.433  -5.251
  212    HA   ASP  34           HA       ASP  34 105.421  -4.328  -5.130
  213   1HB   ASP  34          1HB       ASP  34 105.241  -3.053  -7.461
  214   2HB   ASP  34          2HB       ASP  34 106.997  -3.220  -7.405
  215    H    ARG  35           H        ARG  35 107.244  -5.621  -4.844
  216    HA   ARG  35           HA       ARG  35 109.235  -4.605  -3.182
  217   1HB   ARG  35          1HB       ARG  35 109.694  -7.080  -4.812
  218   2HB   ARG  35          2HB       ARG  35 110.147  -6.754  -3.146
  219   1HG   ARG  35          1HG       ARG  35 107.439  -6.616  -2.991
  220   2HG   ARG  35          2HG       ARG  35 107.658  -7.836  -4.252
  221   1HD   ARG  35          1HD       ARG  35 108.986  -7.895  -1.547
  222   2HD   ARG  35          2HD       ARG  35 107.522  -8.784  -1.962
  223    HE   ARG  35           HE       ARG  35 110.232  -9.407  -2.765
  224   1HH1  ARG  35          1HH1      ARG  35 106.832  -9.946  -3.350
  225   2HH1  ARG  35          2HH1      ARG  35 107.084 -11.463  -4.146
  226   1HH2  ARG  35          1HH2      ARG  35 110.561 -11.400  -3.811
  227   2HH2  ARG  35          2HH2      ARG  35 109.199 -12.289  -4.407
  228    H    MET  36           H        MET  36 109.013  -4.523  -6.601
  229    HA   MET  36           HA       MET  36 111.644  -4.611  -7.433
  230   1HB   MET  36          1HB       MET  36 109.141  -3.509  -8.452
  231   2HB   MET  36          2HB       MET  36 110.548  -2.600  -8.986
  232   1HG   MET  36          1HG       MET  36 111.546  -4.786  -9.723
  233   2HG   MET  36          2HG       MET  36 109.969  -5.517  -9.407
  234   1HE   MET  36          1HE       MET  36 110.130  -6.458 -11.477
  235   2HE   MET  36          2HE       MET  36 110.394  -5.671 -13.033
  236   3HE   MET  36          3HE       MET  36 108.756  -5.860 -12.407
  237    H    ARG  37           H        ARG  37 109.863  -1.870  -6.061
  238    HA   ARG  37           HA       ARG  37 112.427  -0.593  -5.465
  239   1HB   ARG  37          1HB       ARG  37 111.045   1.625  -6.069
  240   2HB   ARG  37          2HB       ARG  37 112.062   0.788  -7.228
  241   1HG   ARG  37          1HG       ARG  37 109.252  -0.103  -7.056
  242   2HG   ARG  37          2HG       ARG  37 109.540   1.502  -7.730
  243   1HD   ARG  37          1HD       ARG  37 111.339  -0.568  -8.756
  244   2HD   ARG  37          2HD       ARG  37 109.640  -0.848  -9.126
  245    HE   ARG  37           HE       ARG  37 109.603   1.121 -10.394
  246   1HH1  ARG  37          1HH1      ARG  37 112.767   0.532  -9.025
  247   2HH1  ARG  37          2HH1      ARG  37 113.562   1.649 -10.080
  248   1HH2  ARG  37          1HH2      ARG  37 110.656   2.585 -11.776
  249   2HH2  ARG  37          2HH2      ARG  37 112.368   2.812 -11.639
  250    H    LEU  38           H        LEU  38 110.640  -2.013  -3.766
  251    HA   LEU  38           HA       LEU  38 108.818  -0.513  -2.359
  252   1HB   LEU  38          1HB       LEU  38 110.446  -2.896  -1.845
  253   2HB   LEU  38          2HB       LEU  38 109.944  -2.037  -0.392
  254    HG   LEU  38           HG       LEU  38 108.070  -3.008  -2.556
  255   1HD1  LEU  38          1HD1      LEU  38 109.304  -4.390  -0.358
  256   2HD1  LEU  38          2HD1      LEU  38 108.204  -5.005  -1.590
  257   3HD1  LEU  38          3HD1      LEU  38 107.560  -4.291  -0.114
  258   1HD2  LEU  38          1HD2      LEU  38 106.886  -2.439  -0.004
  259   2HD2  LEU  38          2HD2      LEU  38 106.501  -1.784  -1.596
  260   3HD2  LEU  38          3HD2      LEU  38 107.750  -1.027  -0.611
  261    H    GLU  39           H        GLU  39 112.274  -0.213  -2.367
  262    HA   GLU  39           HA       GLU  39 112.355   1.297   0.073
  263   1HB   GLU  39          1HB       GLU  39 114.722   1.619  -0.399
  264   2HB   GLU  39          2HB       GLU  39 114.273  -0.074  -0.528
  265   1HG   GLU  39          1HG       GLU  39 115.694   0.311  -2.323
  266   2HG   GLU  39          2HG       GLU  39 114.077   0.328  -3.024
  267    H    ARG  40           H        ARG  40 110.847   2.110  -2.515
  268    HA   ARG  40           HA       ARG  40 111.899   4.859  -2.600
  269   1HB   ARG  40          1HB       ARG  40 111.488   3.033  -4.697
  270   2HB   ARG  40          2HB       ARG  40 110.193   4.213  -4.831
  271   1HG   ARG  40          1HG       ARG  40 112.786   5.441  -4.354
  272   2HG   ARG  40          2HG       ARG  40 112.742   4.474  -5.829
  273   1HD   ARG  40          1HD       ARG  40 110.502   5.730  -6.258
  274   2HD   ARG  40          2HD       ARG  40 111.138   6.889  -5.092
  275    HE   ARG  40           HE       ARG  40 111.951   6.572  -7.797
  276   1HH1  ARG  40          1HH1      ARG  40 113.142   7.387  -4.620
  277   2HH1  ARG  40          2HH1      ARG  40 114.451   8.348  -5.220
  278   1HH2  ARG  40          1HH2      ARG  40 113.674   7.836  -8.589
  279   2HH2  ARG  40          2HH2      ARG  40 114.754   8.603  -7.473
  280    H    HIS  41           H        HIS  41 109.361   2.802  -1.800
  281    HA   HIS  41           HA       HIS  41 107.287   4.831  -1.941
  282   1HB   HIS  41          1HB       HIS  41 107.351   1.884  -1.340
  283   2HB   HIS  41          2HB       HIS  41 105.922   2.854  -1.026
  284    HD1  HIS  41           HD1      HIS  41 105.097   4.256  -3.291
  285    HD2  HIS  41           HD2      HIS  41 107.385   0.828  -3.817
  286    HE1  HIS  41           HE1      HIS  41 104.699   3.540  -5.669
  287    HE2  HIS  41           HE2      HIS  41 106.158   1.512  -5.988
  288    H    LEU  42           H        LEU  42 109.699   4.110   0.160
  289    HA   LEU  42           HA       LEU  42 108.223   4.256   2.624
  290   1HB   LEU  42          1HB       LEU  42 111.161   4.262   1.953
  291   2HB   LEU  42          2HB       LEU  42 110.544   4.356   3.598
  292    HG   LEU  42           HG       LEU  42 109.473   2.117   2.029
  293   1HD1  LEU  42          1HD1      LEU  42 112.178   1.564   3.026
  294   2HD1  LEU  42          2HD1      LEU  42 112.090   2.544   1.556
  295   3HD1  LEU  42          3HD1      LEU  42 111.332   0.949   1.603
  296   1HD2  LEU  42          1HD2      LEU  42 109.099   2.561   4.434
  297   2HD2  LEU  42          2HD2      LEU  42 110.811   2.244   4.710
  298   3HD2  LEU  42          3HD2      LEU  42 109.764   0.965   4.091
  299    H    SER  43           H        SER  43 108.090   5.980   3.987
  300    HA   SER  43           HA       SER  43 108.380   8.584   2.821
  301   1HB   SER  43          1HB       SER  43 107.769   9.180   5.356
  302   2HB   SER  43          2HB       SER  43 106.551   8.607   4.211
  303    HG   SER  43           HG       SER  43 106.766   7.534   6.382
  304    H    ALA  44           H        ALA  44 109.483  10.363   4.062
  305    HA   ALA  44           HA       ALA  44 112.201   9.997   4.156
  306   1HB   ALA  44          1HB       ALA  44 110.410  12.019   5.439
  307   2HB   ALA  44          2HB       ALA  44 111.550  12.217   4.108
  308   3HB   ALA  44          3HB       ALA  44 112.144  12.044   5.760
  309    H    GLU  45           H        GLU  45 109.938   9.827   6.882
  310    HA   GLU  45           HA       GLU  45 111.858   9.307   8.875
  311   1HB   GLU  45          1HB       GLU  45 109.711   7.998   9.859
  312   2HB   GLU  45          2HB       GLU  45 109.908   9.740   9.948
  313   1HG   GLU  45          1HG       GLU  45 108.347  10.139   8.305
  314   2HG   GLU  45          2HG       GLU  45 108.533   8.539   7.592
  315    H    ASP  46           H        ASP  46 109.695   7.059   7.183
  316    HA   ASP  46           HA       ASP  46 110.713   4.687   8.170
  317   1HB   ASP  46          1HB       ASP  46 109.170   5.482   5.772
  318   2HB   ASP  46          2HB       ASP  46 109.983   3.918   5.685
  319    H    PHE  47           H        PHE  47 111.611   6.275   5.089
  320    HA   PHE  47           HA       PHE  47 113.595   4.488   4.342
  321   1HB   PHE  47          1HB       PHE  47 112.535   6.501   3.074
  322   2HB   PHE  47          2HB       PHE  47 113.869   7.419   3.779
  323    HD1  PHE  47           HD1      PHE  47 113.191   4.310   1.870
  324    HD2  PHE  47           HD2      PHE  47 115.883   7.502   2.675
  325    HE1  PHE  47           HE1      PHE  47 114.693   3.503   0.079
  326    HE2  PHE  47           HE2      PHE  47 117.381   6.708   0.889
  327    HZ   PHE  47           HZ       PHE  47 116.779   4.710  -0.414
  328    H    SER  48           H        SER  48 114.101   7.669   5.872
  329    HA   SER  48           HA       SER  48 116.835   7.308   6.349
  330   1HB   SER  48          1HB       SER  48 115.147   9.409   6.570
  331   2HB   SER  48          2HB       SER  48 115.352   9.001   8.273
  332    HG   SER  48           HG       SER  48 117.692   9.010   7.737
  333    H    ARG  49           H        ARG  49 114.167   5.867   7.901
  334    HA   ARG  49           HA       ARG  49 115.566   5.466  10.419
  335   1HB   ARG  49          1HB       ARG  49 113.171   5.933  10.491
  336   2HB   ARG  49          2HB       ARG  49 112.848   4.523   9.492
  337   1HG   ARG  49          1HG       ARG  49 112.362   4.087  11.837
  338   2HG   ARG  49          2HG       ARG  49 113.675   3.063  11.251
  339   1HD   ARG  49          1HD       ARG  49 115.295   4.667  12.233
  340   2HD   ARG  49          2HD       ARG  49 113.936   5.569  12.911
  341    HE   ARG  49           HE       ARG  49 115.031   3.085  13.873
  342   1HH1  ARG  49          1HH1      ARG  49 112.217   5.150  13.816
  343   2HH1  ARG  49          2HH1      ARG  49 111.560   4.506  15.282
  344   1HH2  ARG  49          1HH2      ARG  49 114.167   2.236  15.802
  345   2HH2  ARG  49          2HH2      ARG  49 112.666   2.853  16.410
  346    H    VAL  50           H        VAL  50 114.756   3.694   7.507
  347    HA   VAL  50           HA       VAL  50 115.749   1.200   8.665
  348    HB   VAL  50           HB       VAL  50 114.725   1.597   5.857
  349   1HG1  VAL  50          1HG1      VAL  50 116.095  -0.449   6.540
  350   2HG1  VAL  50          2HG1      VAL  50 114.542  -0.728   5.751
  351   3HG1  VAL  50          3HG1      VAL  50 114.689  -0.912   7.498
  352   1HG2  VAL  50          1HG2      VAL  50 113.028   0.428   8.007
  353   2HG2  VAL  50          2HG2      VAL  50 112.559   1.212   6.496
  354   3HG2  VAL  50          3HG2      VAL  50 113.131   2.182   7.856
  355    H    PHE  51           H        PHE  51 116.530   3.506   6.094
  356    HA   PHE  51           HA       PHE  51 118.983   2.006   5.524
  357   1HB   PHE  51          1HB       PHE  51 117.685   4.286   4.024
  358   2HB   PHE  51          2HB       PHE  51 119.161   3.461   3.531
  359    HD1  PHE  51           HD1      PHE  51 118.768   0.731   3.600
  360    HD2  PHE  51           HD2      PHE  51 115.855   3.721   2.813
  361    HE1  PHE  51           HE1      PHE  51 117.442  -0.900   2.314
  362    HE2  PHE  51           HE2      PHE  51 114.519   2.090   1.526
  363    HZ   PHE  51           HZ       PHE  51 115.323  -0.217   1.279
  364    H    ALA  52           H        ALA  52 117.860   5.123   6.703
  365    HA   ALA  52           HA       ALA  52 118.956   6.710   7.954
  366   1HB   ALA  52          1HB       ALA  52 121.543   5.241   7.631
  367   2HB   ALA  52          2HB       ALA  52 120.305   4.669   8.751
  368   3HB   ALA  52          3HB       ALA  52 121.011   6.273   8.959
  369    H    MET  53           H        MET  53 119.030   6.308   4.894
  370    HA   MET  53           HA       MET  53 120.881   8.525   4.349
  371   1HB   MET  53          1HB       MET  53 120.901   7.148   2.002
  372   2HB   MET  53          2HB       MET  53 122.156   7.063   3.233
  373   1HG   MET  53          1HG       MET  53 121.533   4.995   3.936
  374   2HG   MET  53          2HG       MET  53 119.837   5.240   3.509
  375   1HE   MET  53          1HE       MET  53 119.148   5.676   1.071
  376   2HE   MET  53          2HE       MET  53 119.837   4.819  -0.308
  377   3HE   MET  53          3HE       MET  53 120.576   6.313   0.254
  378    H    SER  54           H        SER  54 120.379   9.687   2.378
  379    HA   SER  54           HA       SER  54 117.635  10.399   2.325
  380   1HB   SER  54          1HB       SER  54 120.024  11.196   0.665
  381   2HB   SER  54          2HB       SER  54 118.413  11.879   0.400
  382    HG   SER  54           HG       SER  54 118.525  12.400   2.744
  383    HA   PRO  55           HA       PRO  55 115.895   7.639  -0.689
  384   1HB   PRO  55          1HB       PRO  55 114.613  10.135  -1.710
  385   2HB   PRO  55          2HB       PRO  55 113.876   8.579  -1.312
  386   1HG   PRO  55          1HG       PRO  55 113.625  10.667   0.328
  387   2HG   PRO  55          2HG       PRO  55 113.841   9.023   0.962
  388   1HD   PRO  55          1HD       PRO  55 115.785  11.276   0.831
  389   2HD   PRO  55          2HD       PRO  55 115.637   9.977   2.034
  390    H    GLU  56           H        GLU  56 117.374  10.696  -1.501
  391    HA   GLU  56           HA       GLU  56 117.755  10.051  -4.282
  392   1HB   GLU  56          1HB       GLU  56 118.865  12.153  -4.454
  393   2HB   GLU  56          2HB       GLU  56 117.508  12.396  -3.359
  394   1HG   GLU  56          1HG       GLU  56 118.967  12.331  -1.450
  395   2HG   GLU  56          2HG       GLU  56 120.345  11.922  -2.473
  396    H    GLU  57           H        GLU  57 119.553   9.894  -1.282
  397    HA   GLU  57           HA       GLU  57 122.121   9.458  -2.228
  398   1HB   GLU  57          1HB       GLU  57 120.689   8.880   0.301
  399   2HB   GLU  57          2HB       GLU  57 122.034   7.800  -0.041
  400   1HG   GLU  57          1HG       GLU  57 123.348   9.981  -0.502
  401   2HG   GLU  57          2HG       GLU  57 122.049  10.744   0.414
  402    H    PHE  58           H        PHE  58 119.622   7.007  -1.502
  403    HA   PHE  58           HA       PHE  58 120.887   4.673  -2.168
  404   1HB   PHE  58          1HB       PHE  58 118.315   5.366  -1.629
  405   2HB   PHE  58          2HB       PHE  58 118.176   4.988  -3.343
  406    HD1  PHE  58           HD1      PHE  58 118.925   2.695  -4.124
  407    HD2  PHE  58           HD2      PHE  58 118.363   3.675  -0.021
  408    HE1  PHE  58           HE1      PHE  58 118.730   0.304  -3.579
  409    HE2  PHE  58           HE2      PHE  58 118.177   1.291   0.531
  410    HZ   PHE  58           HZ       PHE  58 118.359  -0.404  -1.247
  411    H    GLY  59           H        GLY  59 118.922   6.488  -4.542
  412   1HA   GLY  59          1HA       GLY  59 119.675   5.088  -6.802
  413   2HA   GLY  59          2HA       GLY  59 119.178   6.774  -6.807
  414    H    LYS  60           H        LYS  60 121.527   7.414  -5.017
  415    HA   LYS  60           HA       LYS  60 123.470   7.652  -7.189
  416   1HB   LYS  60          1HB       LYS  60 123.381   9.063  -4.517
  417   2HB   LYS  60          2HB       LYS  60 124.504   9.404  -5.830
  418   1HG   LYS  60          1HG       LYS  60 121.513   9.701  -6.024
  419   2HG   LYS  60          2HG       LYS  60 122.637  11.017  -5.667
  420   1HD   LYS  60          1HD       LYS  60 123.309   9.439  -8.051
  421   2HD   LYS  60          2HD       LYS  60 121.790  10.329  -8.161
  422   1HE   LYS  60          1HE       LYS  60 123.373  11.836  -8.970
  423   2HE   LYS  60          2HE       LYS  60 123.137  12.336  -7.297
  424   1HZ   LYS  60          1HZ       LYS  60 125.517  12.095  -8.226
  425   2HZ   LYS  60          2HZ       LYS  60 125.285  10.440  -7.971
  426   3HZ   LYS  60          3HZ       LYS  60 125.180  11.516  -6.671
  427    H    LEU  61           H        LEU  61 122.920   5.516  -4.754
  428    HA   LEU  61           HA       LEU  61 125.574   5.268  -3.730
  429   1HB   LEU  61          1HB       LEU  61 123.119   3.517  -3.510
  430   2HB   LEU  61          2HB       LEU  61 124.601   3.253  -2.619
  431    HG   LEU  61           HG       LEU  61 122.617   5.453  -2.287
  432   1HD1  LEU  61          1HD1      LEU  61 123.303   4.584   0.161
  433   2HD1  LEU  61          2HD1      LEU  61 123.545   3.118  -0.786
  434   3HD1  LEU  61          3HD1      LEU  61 121.977   3.920  -0.792
  435   1HD2  LEU  61          1HD2      LEU  61 125.451   5.385  -1.270
  436   2HD2  LEU  61          2HD2      LEU  61 124.199   6.478  -0.679
  437   3HD2  LEU  61          3HD2      LEU  61 124.742   6.583  -2.353
  438    H    ALA  62           H        ALA  62 125.305   2.271  -3.865
  439    HA   ALA  62           HA       ALA  62 126.110   1.866  -6.658
  440   1HB   ALA  62          1HB       ALA  62 127.441   0.490  -4.344
  441   2HB   ALA  62          2HB       ALA  62 128.035   2.001  -5.032
  442   3HB   ALA  62          3HB       ALA  62 127.963   0.546  -6.027
  443    H    LEU  63           H        LEU  63 126.156  -0.488  -7.268
  444    HA   LEU  63           HA       LEU  63 123.616  -1.636  -6.815
  445   1HB   LEU  63          1HB       LEU  63 125.151  -1.868  -8.835
  446   2HB   LEU  63          2HB       LEU  63 126.005  -3.090  -7.912
  447    HG   LEU  63           HG       LEU  63 123.177  -3.642  -7.900
  448   1HD1  LEU  63          1HD1      LEU  63 122.917  -2.563  -9.965
  449   2HD1  LEU  63          2HD1      LEU  63 123.110  -4.271 -10.358
  450   3HD1  LEU  63          3HD1      LEU  63 124.463  -3.160 -10.569
  451   1HD2  LEU  63          1HD2      LEU  63 123.896  -5.776  -8.167
  452   2HD2  LEU  63          2HD2      LEU  63 125.420  -5.057  -7.648
  453   3HD2  LEU  63          3HD2      LEU  63 125.115  -5.334  -9.363
  454    H    TRP  64           H        TRP  64 126.696  -2.087  -5.254
  455    HA   TRP  64           HA       TRP  64 125.891  -4.528  -3.943
  456   1HB   TRP  64          1HB       TRP  64 128.137  -4.207  -2.828
  457   2HB   TRP  64          2HB       TRP  64 128.194  -4.354  -4.589
  458    HD1  TRP  64           HD1      TRP  64 129.124  -2.290  -5.920
  459    HE1  TRP  64           HE1      TRP  64 130.096  -0.019  -5.213
  460    HE3  TRP  64           HE3      TRP  64 127.763  -2.406  -1.124
  461    HZ2  TRP  64           HZ2      TRP  64 130.259   1.519  -2.798
  462    HZ3  TRP  64           HZ3      TRP  64 128.364  -0.503   0.363
  463    HH2  TRP  64           HH2      TRP  64 129.569   1.413  -0.472
  464    H    LYS  65           H        LYS  65 126.203  -1.121  -3.385
  465    HA   LYS  65           HA       LYS  65 125.726  -1.219  -0.563
  466   1HB   LYS  65          1HB       LYS  65 126.809   0.715  -1.744
  467   2HB   LYS  65          2HB       LYS  65 125.244   1.092  -2.453
  468   1HG   LYS  65          1HG       LYS  65 125.635   2.529  -0.571
  469   2HG   LYS  65          2HG       LYS  65 124.324   1.409  -0.190
  470   1HD   LYS  65          1HD       LYS  65 125.452   0.993   1.696
  471   2HD   LYS  65          2HD       LYS  65 126.545   0.050   0.679
  472   1HE   LYS  65          1HE       LYS  65 127.900   2.109   0.335
  473   2HE   LYS  65          2HE       LYS  65 126.856   2.936   1.498
  474   1HZ   LYS  65          1HZ       LYS  65 129.037   1.935   2.332
  475   2HZ   LYS  65          2HZ       LYS  65 128.258   0.437   2.216
  476   3HZ   LYS  65          3HZ       LYS  65 127.639   1.636   3.237
  477    H    ARG  66           H        ARG  66 123.702  -0.150  -3.303
  478    HA   ARG  66           HA       ARG  66 121.281   0.169  -2.058
  479   1HB   ARG  66          1HB       ARG  66 121.863  -1.024  -4.770
  480   2HB   ARG  66          2HB       ARG  66 120.256  -0.553  -4.237
  481   1HG   ARG  66          1HG       ARG  66 121.153   1.752  -3.878
  482   2HG   ARG  66          2HG       ARG  66 122.638   1.214  -4.664
  483   1HD   ARG  66          1HD       ARG  66 120.184   0.594  -6.145
  484   2HD   ARG  66          2HD       ARG  66 120.503   2.323  -5.943
  485    HE   ARG  66           HE       ARG  66 122.880   1.359  -6.786
  486   1HH1  ARG  66          1HH1      ARG  66 119.626   1.046  -8.006
  487   2HH1  ARG  66          2HH1      ARG  66 120.125   0.897  -9.658
  488   1HH2  ARG  66          1HH2      ARG  66 123.539   1.163  -8.958
  489   2HH2  ARG  66          2HH2      ARG  66 122.347   0.962 -10.198
  490    H    ASN  67           H        ASN  67 122.724  -2.791  -3.276
  491    HA   ASN  67           HA       ASN  67 120.620  -4.551  -2.666
  492   1HB   ASN  67          1HB       ASN  67 123.494  -4.791  -3.287
  493   2HB   ASN  67          2HB       ASN  67 122.839  -6.117  -2.324
  494   1HD2  ASN  67          1HD2      ASN  67 122.221  -4.220  -5.247
  495   2HD2  ASN  67          2HD2      ASN  67 121.531  -5.518  -6.154
  496    H    GLU  68           H        GLU  68 123.645  -4.143  -0.828
  497    HA   GLU  68           HA       GLU  68 123.036  -5.519   1.435
  498   1HB   GLU  68          1HB       GLU  68 124.810  -3.251   0.803
  499   2HB   GLU  68          2HB       GLU  68 124.424  -3.443   2.507
  500   1HG   GLU  68          1HG       GLU  68 125.668  -5.504   0.702
  501   2HG   GLU  68          2HG       GLU  68 126.467  -4.602   1.989
  502    H    LEU  69           H        LEU  69 122.126  -2.161   0.704
  503    HA   LEU  69           HA       LEU  69 120.972  -1.564   3.195
  504   1HB   LEU  69          1HB       LEU  69 120.010  -0.513   0.546
  505   2HB   LEU  69          2HB       LEU  69 119.860   0.246   2.117
  506    HG   LEU  69           HG       LEU  69 122.561  -0.309   1.079
  507   1HD1  LEU  69          1HD1      LEU  69 121.679   2.328   0.369
  508   2HD1  LEU  69          2HD1      LEU  69 120.708   1.099  -0.432
  509   3HD1  LEU  69          3HD1      LEU  69 122.459   1.103  -0.627
  510   1HD2  LEU  69          1HD2      LEU  69 123.012   1.828   2.281
  511   2HD2  LEU  69          2HD2      LEU  69 122.411   0.528   3.311
  512   3HD2  LEU  69          3HD2      LEU  69 121.326   1.821   2.801
  513    H    LYS  70           H        LYS  70 119.321  -2.352   0.170
  514    HA   LYS  70           HA       LYS  70 116.779  -2.864   1.244
  515   1HB   LYS  70          1HB       LYS  70 118.231  -3.640  -1.242
  516   2HB   LYS  70          2HB       LYS  70 116.749  -4.500  -0.854
  517   1HG   LYS  70          1HG       LYS  70 115.433  -2.620  -1.105
  518   2HG   LYS  70          2HG       LYS  70 116.786  -1.516  -0.838
  519   1HD   LYS  70          1HD       LYS  70 116.340  -1.370  -3.138
  520   2HD   LYS  70          2HD       LYS  70 117.740  -2.438  -3.020
  521   1HE   LYS  70          1HE       LYS  70 116.502  -4.331  -3.527
  522   2HE   LYS  70          2HE       LYS  70 114.978  -3.582  -3.052
  523   1HZ   LYS  70          1HZ       LYS  70 115.548  -2.012  -5.047
  524   2HZ   LYS  70          2HZ       LYS  70 114.802  -3.508  -5.309
  525   3HZ   LYS  70          3HZ       LYS  70 116.466  -3.337  -5.564
  526    H    LYS  71           H        LYS  71 119.696  -4.680   1.291
  527    HA   LYS  71           HA       LYS  71 118.466  -7.207   1.919
  528   1HB   LYS  71          1HB       LYS  71 121.296  -6.203   1.665
  529   2HB   LYS  71          2HB       LYS  71 120.952  -7.808   2.319
  530   1HG   LYS  71          1HG       LYS  71 119.985  -8.526   0.290
  531   2HG   LYS  71          2HG       LYS  71 119.907  -6.876  -0.335
  532   1HD   LYS  71          1HD       LYS  71 121.743  -7.810  -1.440
  533   2HD   LYS  71          2HD       LYS  71 122.469  -6.892  -0.119
  534   1HE   LYS  71          1HE       LYS  71 123.556  -9.021  -0.236
  535   2HE   LYS  71          2HE       LYS  71 122.548  -8.994   1.211
  536   1HZ   LYS  71          1HZ       LYS  71 122.396 -11.082  -0.079
  537   2HZ   LYS  71          2HZ       LYS  71 121.725 -10.215  -1.367
  538   3HZ   LYS  71          3HZ       LYS  71 120.904 -10.306   0.109
  539    H    LYS  72           H        LYS  72 119.840  -4.518   3.645
  540    HA   LYS  72           HA       LYS  72 119.768  -5.968   6.171
  541   1HB   LYS  72          1HB       LYS  72 121.769  -4.675   5.849
  542   2HB   LYS  72          2HB       LYS  72 120.839  -3.249   5.414
  543   1HG   LYS  72          1HG       LYS  72 120.010  -4.074   8.000
  544   2HG   LYS  72          2HG       LYS  72 121.776  -4.049   7.967
  545   1HD   LYS  72          1HD       LYS  72 121.176  -1.877   8.607
  546   2HD   LYS  72          2HD       LYS  72 121.541  -1.740   6.886
  547   1HE   LYS  72          1HE       LYS  72 118.738  -2.365   7.546
  548   2HE   LYS  72          2HE       LYS  72 119.297  -0.772   8.050
  549   1HZ   LYS  72          1HZ       LYS  72 118.436  -1.478   5.551
  550   2HZ   LYS  72          2HZ       LYS  72 120.117  -1.391   5.388
  551   3HZ   LYS  72          3HZ       LYS  72 119.254  -0.055   5.963
  552    H    ALA  73           H        ALA  73 118.096  -3.646   4.298
  553    HA   ALA  73           HA       ALA  73 116.540  -2.497   6.409
  554   1HB   ALA  73          1HB       ALA  73 116.722  -2.260   3.467
  555   2HB   ALA  73          2HB       ALA  73 116.690  -1.004   4.704
  556   3HB   ALA  73          3HB       ALA  73 115.195  -1.802   4.218
  557    H    GLU  74           H        GLU  74 116.490  -5.535   5.205
  558    HA   GLU  74           HA       GLU  74 114.977  -7.230   5.400
  559   1HB   GLU  74          1HB       GLU  74 112.934  -5.219   6.336
  560   2HB   GLU  74          2HB       GLU  74 112.967  -6.943   6.652
  561   1HG   GLU  74          1HG       GLU  74 115.171  -5.184   7.635
  562   2HG   GLU  74          2HG       GLU  74 113.650  -5.306   8.518
  563    H    LEU  75           H        LEU  75 115.029  -4.970   3.194
  564    HA   LEU  75           HA       LEU  75 112.810  -6.135   1.713
  565   1HB   LEU  75          1HB       LEU  75 112.863  -3.548   0.758
  566   2HB   LEU  75          2HB       LEU  75 111.631  -4.259   1.792
  567    HG   LEU  75           HG       LEU  75 113.578  -3.423   3.554
  568   1HD1  LEU  75          1HD1      LEU  75 113.384  -1.513   1.251
  569   2HD1  LEU  75          2HD1      LEU  75 114.832  -2.135   2.045
  570   3HD1  LEU  75          3HD1      LEU  75 113.794  -0.978   2.884
  571   1HD2  LEU  75          1HD2      LEU  75 111.852  -1.413   3.710
  572   2HD2  LEU  75          2HD2      LEU  75 111.452  -3.042   4.252
  573   3HD2  LEU  75          3HD2      LEU  75 110.916  -2.485   2.666
  574    H    PHE  76           H        PHE  76 114.722  -7.364   0.925
  575    HA   PHE  76           HA       PHE  76 115.833  -5.971  -1.423
  576   1HB   PHE  76          1HB       PHE  76 117.832  -6.259  -0.381
  577   2HB   PHE  76          2HB       PHE  76 117.223  -7.550   0.657
  578    HD1  PHE  76           HD1      PHE  76 117.487  -9.839   0.048
  579    HD2  PHE  76           HD2      PHE  76 118.625  -6.751  -2.649
  580    HE1  PHE  76           HE1      PHE  76 118.666 -11.492  -1.340
  581    HE2  PHE  76           HE2      PHE  76 119.806  -8.398  -4.044
  582    HZ   PHE  76           HZ       PHE  76 119.828 -10.772  -3.390
  Start of MODEL    3
    1    HT1  PRO   9           HT1      PRO   9 105.089  10.036 -11.772
    2    HT2  PRO   9           HT2      PRO   9 104.015   9.719 -10.566
    3    HA   PRO   9           HA       PRO   9 106.000  11.389 -10.539
    4   1HB   PRO   9          1HB       PRO   9 103.882  13.339 -10.193
    5   2HB   PRO   9          2HB       PRO   9 105.348  13.444 -11.178
    6   1HG   PRO   9          1HG       PRO   9 102.852  13.211 -12.242
    7   2HG   PRO   9          2HG       PRO   9 104.316  12.609 -13.041
    8   1HD   PRO   9          1HD       PRO   9 102.272  11.098 -11.440
    9   2HD   PRO   9          2HD       PRO   9 103.052  10.652 -12.970
   10    H    GLY  10           H        GLY  10 106.452  10.795  -8.513
   11   1HA   GLY  10          1HA       GLY  10 106.278  10.566  -6.234
   12   2HA   GLY  10          2HA       GLY  10 104.940  11.704  -6.309
   13    H    LEU  11           H        LEU  11 105.547   9.073  -4.905
   14    HA   LEU  11           HA       LEU  11 103.035   7.722  -5.622
   15   1HB   LEU  11          1HB       LEU  11 104.369   5.811  -4.267
   16   2HB   LEU  11          2HB       LEU  11 104.368   5.961  -6.012
   17    HG   LEU  11           HG       LEU  11 106.609   5.541  -5.055
   18   1HD1  LEU  11          1HD1      LEU  11 107.587   6.714  -6.687
   19   2HD1  LEU  11          2HD1      LEU  11 106.950   8.253  -6.107
   20   3HD1  LEU  11          3HD1      LEU  11 105.940   7.196  -7.093
   21   1HD2  LEU  11          1HD2      LEU  11 107.492   7.927  -4.084
   22   2HD2  LEU  11          2HD2      LEU  11 107.018   6.544  -3.098
   23   3HD2  LEU  11          3HD2      LEU  11 105.866   7.842  -3.407
   24    H    GLN  12           H        GLN  12 102.035   6.523  -3.799
   25    HA   GLN  12           HA       GLN  12 101.773   8.276  -1.539
   26   1HB   GLN  12          1HB       GLN  12 100.340   6.054  -0.825
   27   2HB   GLN  12          2HB       GLN  12  99.702   7.415  -1.732
   28   1HG   GLN  12          1HG       GLN  12 100.983   5.181  -3.220
   29   2HG   GLN  12          2HG       GLN  12  99.375   4.945  -2.542
   30   1HE2  GLN  12          1HE2      GLN  12  98.099   7.226  -2.905
   31   2HE2  GLN  12          2HE2      GLN  12  98.015   7.657  -4.575
   32    H    ILE  13           H        ILE  13 102.475   8.016   0.511
   33    HA   ILE  13           HA       ILE  13 104.503   5.958   0.943
   34    HB   ILE  13           HB       ILE  13 103.884   8.233   2.806
   35   1HG1  ILE  13          1HG1      ILE  13 104.312   9.018   0.428
   36   2HG1  ILE  13          2HG1      ILE  13 105.415   9.641   1.654
   37   1HG2  ILE  13          1HG2      ILE  13 106.329   6.547   2.311
   38   2HG2  ILE  13          2HG2      ILE  13 105.296   6.536   3.741
   39   3HG2  ILE  13          3HG2      ILE  13 106.285   7.952   3.376
   40   1HD1  ILE  13          1HD1      ILE  13 107.060   7.931   0.987
   41   2HD1  ILE  13          2HD1      ILE  13 106.648   9.047  -0.315
   42   3HD1  ILE  13          3HD1      ILE  13 105.966   7.421  -0.299
   43    H    TYR  14           H        TYR  14 104.420   4.466   2.602
   44    HA   TYR  14           HA       TYR  14 102.105   4.490   4.395
   45   1HB   TYR  14          1HB       TYR  14 102.772   1.823   3.335
   46   2HB   TYR  14          2HB       TYR  14 101.202   2.554   3.651
   47    HD1  TYR  14           HD1      TYR  14 103.969   2.391   1.211
   48    HD2  TYR  14           HD2      TYR  14  99.902   3.448   1.877
   49    HE1  TYR  14           HE1      TYR  14 103.656   2.671  -1.207
   50    HE2  TYR  14           HE2      TYR  14  99.577   3.734  -0.547
   51    HH   TYR  14           HH       TYR  14 102.227   3.696  -2.776
   52    HA   PRO  15           HA       PRO  15 104.603   2.744   7.625
   53   1HB   PRO  15          1HB       PRO  15 103.421   0.029   7.270
   54   2HB   PRO  15          2HB       PRO  15 103.564   1.012   8.735
   55   1HG   PRO  15          1HG       PRO  15 101.220   0.750   7.493
   56   2HG   PRO  15          2HG       PRO  15 101.705   2.296   8.214
   57   1HD   PRO  15          1HD       PRO  15 101.651   1.473   5.346
   58   2HD   PRO  15          2HD       PRO  15 101.310   3.057   6.076
   59    H    TYR  16           H        TYR  16 106.312   1.034   8.092
   60    HA   TYR  16           HA       TYR  16 107.767   0.532   5.654
   61   1HB   TYR  16          1HB       TYR  16 109.160   1.354   7.306
   62   2HB   TYR  16          2HB       TYR  16 108.364   0.437   8.581
   63    HD1  TYR  16           HD1      TYR  16 110.126  -0.414   5.396
   64    HD2  TYR  16           HD2      TYR  16 109.714  -1.082   9.563
   65    HE1  TYR  16           HE1      TYR  16 111.920  -2.097   5.276
   66    HE2  TYR  16           HE2      TYR  16 111.507  -2.773   9.480
   67    HH   TYR  16           HH       TYR  16 112.758  -3.975   6.511
   68    H    GLU  17           H        GLU  17 106.918  -1.505   8.466
   69    HA   GLU  17           HA       GLU  17 107.606  -3.968   7.479
   70   1HB   GLU  17          1HB       GLU  17 105.195  -3.312   9.181
   71   2HB   GLU  17          2HB       GLU  17 105.894  -4.913   8.987
   72   1HG   GLU  17          1HG       GLU  17 107.943  -4.190  10.040
   73   2HG   GLU  17          2HG       GLU  17 107.329  -2.537  10.151
   74    H    MET  18           H        MET  18 104.712  -2.109   6.747
   75    HA   MET  18           HA       MET  18 103.316  -4.192   5.422
   76   1HB   MET  18          1HB       MET  18 102.990  -1.312   5.839
   77   2HB   MET  18          2HB       MET  18 102.365  -1.871   4.293
   78   1HG   MET  18          1HG       MET  18 101.440  -3.744   6.109
   79   2HG   MET  18          2HG       MET  18 101.295  -2.203   6.959
   80   1HE   MET  18          1HE       MET  18 100.562  -0.146   5.788
   81   2HE   MET  18          2HE       MET  18  98.956  -0.103   5.060
   82   3HE   MET  18          3HE       MET  18 100.385  -0.216   4.034
   83    H    LEU  19           H        LEU  19 105.955  -2.206   4.475
   84    HA   LEU  19           HA       LEU  19 105.511  -2.847   1.639
   85   1HB   LEU  19          1HB       LEU  19 107.606  -0.967   2.669
   86   2HB   LEU  19          2HB       LEU  19 106.888  -1.041   1.068
   87    HG   LEU  19           HG       LEU  19 105.298  -0.267   3.495
   88   1HD1  LEU  19          1HD1      LEU  19 106.614   1.640   1.576
   89   2HD1  LEU  19          2HD1      LEU  19 107.292   1.226   3.150
   90   3HD1  LEU  19          3HD1      LEU  19 105.724   2.026   3.048
   91   1HD2  LEU  19          1HD2      LEU  19 104.778   0.642   0.718
   92   2HD2  LEU  19          2HD2      LEU  19 103.649   0.337   2.037
   93   3HD2  LEU  19          3HD2      LEU  19 104.366  -1.014   1.158
   94    H    VAL  20           H        VAL  20 106.914  -4.345   4.100
   95    HA   VAL  20           HA       VAL  20 109.578  -4.763   3.249
   96    HB   VAL  20           HB       VAL  20 107.960  -6.823   4.736
   97   1HG1  VAL  20          1HG1      VAL  20 110.861  -6.090   4.582
   98   2HG1  VAL  20          2HG1      VAL  20 110.101  -7.648   4.246
   99   3HG1  VAL  20          3HG1      VAL  20 110.210  -7.055   5.904
  100   1HG2  VAL  20          1HG2      VAL  20 108.082  -4.218   5.544
  101   2HG2  VAL  20          2HG2      VAL  20 109.448  -4.946   6.385
  102   3HG2  VAL  20          3HG2      VAL  20 107.828  -5.615   6.589
  103    H    VAL  21           H        VAL  21 110.386  -6.944   2.417
  104    HA   VAL  21           HA       VAL  21 108.664  -7.677   0.163
  105    HB   VAL  21           HB       VAL  21 111.615  -8.124   0.590
  106   1HG1  VAL  21          1HG1      VAL  21 109.751  -8.973  -1.585
  107   2HG1  VAL  21          2HG1      VAL  21 111.066  -9.867  -0.823
  108   3HG1  VAL  21          3HG1      VAL  21 111.426  -8.577  -1.971
  109   1HG2  VAL  21          1HG2      VAL  21 111.989  -6.355  -0.915
  110   2HG2  VAL  21          2HG2      VAL  21 110.758  -5.766   0.202
  111   3HG2  VAL  21          3HG2      VAL  21 110.298  -6.317  -1.412
  112    H    THR  22           H        THR  22 111.062  -9.498   2.112
  113    HA   THR  22           HA       THR  22 109.324 -11.846   1.822
  114    HB   THR  22           HB       THR  22 112.258 -11.669   2.513
  115    HG1  THR  22           HG1      THR  22 112.150 -11.319   0.396
  116   1HG2  THR  22          1HG2      THR  22 112.210 -13.782   3.141
  117   2HG2  THR  22          2HG2      THR  22 111.525 -14.234   1.581
  118   3HG2  THR  22          3HG2      THR  22 110.460 -13.818   2.923
  119    H    ASN  23           H        ASN  23 111.637 -10.687   4.228
  120    HA   ASN  23           HA       ASN  23 111.084 -12.073   6.416
  121   1HB   ASN  23          1HB       ASN  23 111.341  -9.065   6.471
  122   2HB   ASN  23          2HB       ASN  23 111.746 -10.183   7.774
  123   1HD2  ASN  23          1HD2      ASN  23 112.634  -9.060   4.575
  124   2HD2  ASN  23          2HD2      ASN  23 114.265  -9.631   4.622
  125    H    LYS  24           H        LYS  24 108.984  -9.441   5.282
  126    HA   LYS  24           HA       LYS  24 107.044 -10.256   7.346
  127   1HB   LYS  24          1HB       LYS  24 107.958  -7.622   6.458
  128   2HB   LYS  24          2HB       LYS  24 106.205  -7.766   6.548
  129   1HG   LYS  24          1HG       LYS  24 107.041  -6.917   8.627
  130   2HG   LYS  24          2HG       LYS  24 106.437  -8.555   8.880
  131   1HD   LYS  24          1HD       LYS  24 108.535  -8.272  10.048
  132   2HD   LYS  24          2HD       LYS  24 108.750  -9.401   8.708
  133   1HE   LYS  24          1HE       LYS  24 110.174  -8.037   7.628
  134   2HE   LYS  24          2HE       LYS  24 109.252  -6.590   8.032
  135   1HZ   LYS  24          1HZ       LYS  24 111.424  -7.885   9.506
  136   2HZ   LYS  24          2HZ       LYS  24 110.219  -7.106  10.402
  137   3HZ   LYS  24          3HZ       LYS  24 111.117  -6.239   9.260
  138    H    GLY  25           H        GLY  25 107.382 -11.362   4.615
  139   1HA   GLY  25          1HA       GLY  25 104.971 -12.089   3.844
  140   2HA   GLY  25          2HA       GLY  25 104.955 -10.429   3.270
  141    H    ARG  26           H        ARG  26 104.926 -10.752   1.110
  142    HA   ARG  26           HA       ARG  26 107.362 -11.729  -0.098
  143   1HB   ARG  26          1HB       ARG  26 106.576 -13.642  -0.927
  144   2HB   ARG  26          2HB       ARG  26 105.210 -13.457   0.151
  145   1HG   ARG  26          1HG       ARG  26 105.147 -12.225  -2.576
  146   2HG   ARG  26          2HG       ARG  26 104.809 -13.939  -2.354
  147   1HD   ARG  26          1HD       ARG  26 103.317 -12.657  -0.384
  148   2HD   ARG  26          2HD       ARG  26 103.130 -11.649  -1.816
  149    HE   ARG  26           HE       ARG  26 102.755 -14.460  -2.306
  150   1HH1  ARG  26          1HH1      ARG  26 101.213 -11.487  -1.328
  151   2HH1  ARG  26          2HH1      ARG  26  99.633 -11.999  -1.813
  152   1HH2  ARG  26          1HH2      ARG  26 100.676 -15.139  -2.945
  153   2HH2  ARG  26          2HH2      ARG  26  99.326 -14.074  -2.731
  154    H    THR  27           H        THR  27 104.097 -10.470  -0.667
  155    HA   THR  27           HA       THR  27 105.093  -8.292  -2.193
  156    HB   THR  27           HB       THR  27 104.111 -10.736  -3.479
  157    HG1  THR  27           HG1      THR  27 105.922 -10.322  -4.416
  158   1HG2  THR  27          1HG2      THR  27 102.201  -9.389  -3.987
  159   2HG2  THR  27          2HG2      THR  27 103.187  -9.606  -5.436
  160   3HG2  THR  27          3HG2      THR  27 103.234  -8.074  -4.556
  161    H    LYS  28           H        LYS  28 103.299  -9.101   0.071
  162    HA   LYS  28           HA       LYS  28 100.631  -8.391  -0.577
  163   1HB   LYS  28          1HB       LYS  28 102.064  -8.411   2.065
  164   2HB   LYS  28          2HB       LYS  28 100.321  -8.278   1.865
  165   1HG   LYS  28          1HG       LYS  28 100.693 -10.522   2.392
  166   2HG   LYS  28          2HG       LYS  28 100.448 -10.503   0.643
  167   1HD   LYS  28          1HD       LYS  28 102.650 -10.951   0.193
  168   2HD   LYS  28          2HD       LYS  28 103.216 -10.236   1.703
  169   1HE   LYS  28          1HE       LYS  28 103.413 -12.733   1.583
  170   2HE   LYS  28          2HE       LYS  28 102.499 -12.127   2.963
  171   1HZ   LYS  28          1HZ       LYS  28 101.603 -14.082   1.493
  172   2HZ   LYS  28          2HZ       LYS  28 101.030 -12.819   0.525
  173   3HZ   LYS  28          3HZ       LYS  28 100.548 -12.929   2.143
  174    H    LEU  29           H        LEU  29 102.753  -6.432  -1.325
  175    HA   LEU  29           HA       LEU  29 102.795  -4.186   0.237
  176   1HB   LEU  29          1HB       LEU  29 103.328  -4.925  -2.530
  177   2HB   LEU  29          2HB       LEU  29 102.876  -3.245  -2.337
  178    HG   LEU  29           HG       LEU  29 104.736  -2.752  -1.097
  179   1HD1  LEU  29          1HD1      LEU  29 106.254  -4.593  -0.174
  180   2HD1  LEU  29          2HD1      LEU  29 104.895  -5.679  -0.463
  181   3HD1  LEU  29          3HD1      LEU  29 104.718  -4.322   0.650
  182   1HD2  LEU  29          1HD2      LEU  29 106.535  -4.440  -2.305
  183   2HD2  LEU  29          2HD2      LEU  29 105.931  -2.911  -2.938
  184   3HD2  LEU  29          3HD2      LEU  29 105.154  -4.427  -3.401
  185    HA   PRO  30           HA       PRO  30  98.815  -2.292   0.007
  186   1HB   PRO  30          1HB       PRO  30 100.222   0.290  -0.209
  187   2HB   PRO  30          2HB       PRO  30  99.128  -0.289   1.053
  188   1HG   PRO  30          1HG       PRO  30 101.790  -0.028   1.439
  189   2HG   PRO  30          2HG       PRO  30 100.819  -1.271   2.253
  190   1HD   PRO  30          1HD       PRO  30 102.703  -1.539  -0.046
  191   2HD   PRO  30          2HD       PRO  30 102.333  -2.679   1.261
  192    HA   PRO  31           HA       PRO  31  97.938  -0.927  -4.114
  193   1HB   PRO  31          1HB       PRO  31  96.885   1.708  -3.395
  194   2HB   PRO  31          2HB       PRO  31  96.025   0.289  -4.004
  195   1HG   PRO  31          1HG       PRO  31  95.745   1.172  -1.465
  196   2HG   PRO  31          2HG       PRO  31  95.635  -0.544  -1.896
  197   1HD   PRO  31          1HD       PRO  31  97.925   0.965  -0.688
  198   2HD   PRO  31          2HD       PRO  31  97.308  -0.655  -0.291
  199    H    GLY  32           H        GLY  32  99.771  -0.559  -5.276
  200   1HA   GLY  32          1HA       GLY  32 100.903   1.031  -6.662
  201   2HA   GLY  32          2HA       GLY  32 100.705   2.227  -5.392
  202    H    VAL  33           H        VAL  33 101.679  -0.711  -4.070
  203    HA   VAL  33           HA       VAL  33 104.471   0.210  -3.983
  204    HB   VAL  33           HB       VAL  33 103.549  -1.734  -1.987
  205   1HG1  VAL  33          1HG1      VAL  33 105.012   0.739  -1.327
  206   2HG1  VAL  33          2HG1      VAL  33 105.832  -0.415  -2.377
  207   3HG1  VAL  33          3HG1      VAL  33 105.280  -0.915  -0.778
  208   1HG2  VAL  33          1HG2      VAL  33 102.846   0.367  -0.609
  209   2HG2  VAL  33          2HG2      VAL  33 101.686  -0.437  -1.664
  210   3HG2  VAL  33          3HG2      VAL  33 102.492   1.037  -2.200
  211    H    ASP  34           H        ASP  34 105.968  -0.946  -4.877
  212    HA   ASP  34           HA       ASP  34 105.652  -3.835  -5.161
  213   1HB   ASP  34          1HB       ASP  34 104.838  -2.645  -7.262
  214   2HB   ASP  34          2HB       ASP  34 106.509  -2.133  -7.502
  215    H    ARG  35           H        ARG  35 107.608  -4.968  -5.325
  216    HA   ARG  35           HA       ARG  35 109.756  -4.043  -3.883
  217   1HB   ARG  35          1HB       ARG  35 109.612  -6.167  -6.015
  218   2HB   ARG  35          2HB       ARG  35 111.070  -5.870  -5.078
  219   1HG   ARG  35          1HG       ARG  35 110.235  -7.420  -3.700
  220   2HG   ARG  35          2HG       ARG  35 109.219  -6.102  -3.106
  221   1HD   ARG  35          1HD       ARG  35 107.954  -8.171  -3.637
  222   2HD   ARG  35          2HD       ARG  35 107.422  -6.761  -4.550
  223    HE   ARG  35           HE       ARG  35 109.355  -8.517  -5.837
  224   1HH1  ARG  35          1HH1      ARG  35 106.017  -7.524  -5.520
  225   2HH1  ARG  35          2HH1      ARG  35 105.544  -8.208  -7.038
  226   1HH2  ARG  35          1HH2      ARG  35 108.726  -9.417  -7.826
  227   2HH2  ARG  35          2HH2      ARG  35 107.080  -9.283  -8.345
  228    H    MET  36           H        MET  36 109.017  -3.450  -7.220
  229    HA   MET  36           HA       MET  36 111.508  -2.837  -8.266
  230   1HB   MET  36          1HB       MET  36 108.725  -1.935  -8.851
  231   2HB   MET  36          2HB       MET  36 110.056  -1.069  -9.606
  232   1HG   MET  36          1HG       MET  36 110.777  -3.615 -10.124
  233   2HG   MET  36          2HG       MET  36 109.017  -3.769 -10.117
  234   1HE   MET  36          1HE       MET  36 108.127  -3.890 -12.762
  235   2HE   MET  36          2HE       MET  36 109.648  -4.720 -12.435
  236   3HE   MET  36          3HE       MET  36 109.485  -3.716 -13.875
  237    H    ARG  37           H        ARG  37 109.317  -0.786  -6.381
  238    HA   ARG  37           HA       ARG  37 111.574   1.030  -5.895
  239   1HB   ARG  37          1HB       ARG  37 109.730   2.883  -5.893
  240   2HB   ARG  37          2HB       ARG  37 110.455   2.365  -7.406
  241   1HG   ARG  37          1HG       ARG  37 108.061   0.866  -6.608
  242   2HG   ARG  37          2HG       ARG  37 107.795   2.574  -6.965
  243   1HD   ARG  37          1HD       ARG  37 109.436   0.945  -8.844
  244   2HD   ARG  37          2HD       ARG  37 107.683   0.754  -8.861
  245    HE   ARG  37           HE       ARG  37 109.148   2.897  -9.967
  246   1HH1  ARG  37          1HH1      ARG  37 106.222   2.249  -8.179
  247   2HH1  ARG  37          2HH1      ARG  37 105.385   3.627  -8.807
  248   1HH2  ARG  37          1HH2      ARG  37 108.049   4.712 -10.792
  249   2HH2  ARG  37          2HH2      ARG  37 106.422   5.027 -10.290
  250    H    LEU  38           H        LEU  38 110.465  -1.087  -4.267
  251    HA   LEU  38           HA       LEU  38 108.690  -0.261  -2.319
  252   1HB   LEU  38          1HB       LEU  38 110.740  -2.332  -2.591
  253   2HB   LEU  38          2HB       LEU  38 110.432  -1.854  -0.926
  254    HG   LEU  38           HG       LEU  38 108.352  -2.826  -2.886
  255   1HD1  LEU  38          1HD1      LEU  38 108.335  -4.856  -1.707
  256   2HD1  LEU  38          2HD1      LEU  38 109.307  -4.197  -0.391
  257   3HD1  LEU  38          3HD1      LEU  38 110.040  -4.490  -1.967
  258   1HD2  LEU  38          1HD2      LEU  38 107.283  -1.318  -1.452
  259   2HD2  LEU  38          2HD2      LEU  38 108.206  -1.855  -0.055
  260   3HD2  LEU  38          3HD2      LEU  38 106.974  -2.904  -0.752
  261    H    GLU  39           H        GLU  39 112.210   0.168  -2.429
  262    HA   GLU  39           HA       GLU  39 112.355   1.470   0.092
  263   1HB   GLU  39          1HB       GLU  39 114.635   1.744  -0.313
  264   2HB   GLU  39          2HB       GLU  39 114.233   0.261  -1.166
  265   1HG   GLU  39          1HG       GLU  39 114.521   2.982  -2.418
  266   2HG   GLU  39          2HG       GLU  39 115.726   1.697  -2.456
  267    H    ARG  40           H        ARG  40 110.678   2.534  -2.389
  268    HA   ARG  40           HA       ARG  40 111.532   5.333  -2.058
  269   1HB   ARG  40          1HB       ARG  40 111.465   3.977  -4.409
  270   2HB   ARG  40          2HB       ARG  40 109.838   4.641  -4.375
  271   1HG   ARG  40          1HG       ARG  40 111.060   6.874  -3.823
  272   2HG   ARG  40          2HG       ARG  40 112.457   6.054  -4.522
  273   1HD   ARG  40          1HD       ARG  40 110.007   5.798  -6.102
  274   2HD   ARG  40          2HD       ARG  40 110.577   7.458  -5.927
  275    HE   ARG  40           HE       ARG  40 111.744   5.413  -7.520
  276   1HH1  ARG  40          1HH1      ARG  40 112.537   8.186  -5.555
  277   2HH1  ARG  40          2HH1      ARG  40 114.004   8.528  -6.409
  278   1HH2  ARG  40          1HH2      ARG  40 113.672   5.863  -8.645
  279   2HH2  ARG  40          2HH2      ARG  40 114.648   7.211  -8.165
  280    H    HIS  41           H        HIS  41 109.272   3.072  -1.282
  281    HA   HIS  41           HA       HIS  41 106.991   4.882  -1.282
  282   1HB   HIS  41          1HB       HIS  41 107.378   1.932  -0.925
  283   2HB   HIS  41          2HB       HIS  41 105.902   2.701  -0.363
  284    HD1  HIS  41           HD1      HIS  41 104.996   4.465  -2.496
  285    HD2  HIS  41           HD2      HIS  41 106.940   0.899  -3.368
  286    HE1  HIS  41           HE1      HIS  41 104.365   3.918  -4.868
  287    HE2  HIS  41           HE2      HIS  41 105.486   1.713  -5.346
  288    H    LEU  42           H        LEU  42 109.537   4.147   0.727
  289    HA   LEU  42           HA       LEU  42 108.113   4.184   3.224
  290   1HB   LEU  42          1HB       LEU  42 111.039   4.309   2.508
  291   2HB   LEU  42          2HB       LEU  42 110.434   4.278   4.158
  292    HG   LEU  42           HG       LEU  42 109.276   2.093   2.726
  293   1HD1  LEU  42          1HD1      LEU  42 112.050   2.666   2.026
  294   2HD1  LEU  42          2HD1      LEU  42 110.887   1.576   1.272
  295   3HD1  LEU  42          3HD1      LEU  42 111.801   1.047   2.688
  296   1HD2  LEU  42          1HD2      LEU  42 109.409   1.609   4.894
  297   2HD2  LEU  42          2HD2      LEU  42 110.810   2.649   5.143
  298   3HD2  LEU  42          3HD2      LEU  42 111.023   1.027   4.493
  299    H    SER  43           H        SER  43 108.073   5.861   4.689
  300    HA   SER  43           HA       SER  43 108.186   8.497   3.580
  301   1HB   SER  43          1HB       SER  43 107.272   9.245   5.647
  302   2HB   SER  43          2HB       SER  43 106.524   7.677   5.324
  303    HG   SER  43           HG       SER  43 108.419   8.393   7.251
  304    H    ALA  44           H        ALA  44 109.374  10.281   4.611
  305    HA   ALA  44           HA       ALA  44 112.096   9.955   4.526
  306   1HB   ALA  44          1HB       ALA  44 111.015  12.139   4.433
  307   2HB   ALA  44          2HB       ALA  44 112.286  12.119   5.657
  308   3HB   ALA  44          3HB       ALA  44 110.593  12.014   6.141
  309    H    GLU  45           H        GLU  45 109.980   9.621   7.317
  310    HA   GLU  45           HA       GLU  45 112.105   9.312   9.212
  311   1HB   GLU  45          1HB       GLU  45 109.573   7.988   9.894
  312   2HB   GLU  45          2HB       GLU  45 110.477   9.202  10.778
  313   1HG   GLU  45          1HG       GLU  45 109.514  10.747   8.839
  314   2HG   GLU  45          2HG       GLU  45 108.264   9.502   8.854
  315    H    ASP  46           H        ASP  46 109.887   7.119   7.569
  316    HA   ASP  46           HA       ASP  46 110.847   4.720   8.583
  317   1HB   ASP  46          1HB       ASP  46 109.604   5.305   5.889
  318   2HB   ASP  46          2HB       ASP  46 109.852   3.686   6.542
  319    H    PHE  47           H        PHE  47 111.638   6.194   5.410
  320    HA   PHE  47           HA       PHE  47 113.568   4.417   4.597
  321   1HB   PHE  47          1HB       PHE  47 112.565   6.476   3.394
  322   2HB   PHE  47          2HB       PHE  47 113.895   7.368   4.137
  323    HD1  PHE  47           HD1      PHE  47 113.170   4.409   2.030
  324    HD2  PHE  47           HD2      PHE  47 115.968   7.412   3.125
  325    HE1  PHE  47           HE1      PHE  47 114.675   3.672   0.214
  326    HE2  PHE  47           HE2      PHE  47 117.472   6.690   1.315
  327    HZ   PHE  47           HZ       PHE  47 116.819   4.820  -0.146
  328    H    SER  48           H        SER  48 114.131   7.450   6.380
  329    HA   SER  48           HA       SER  48 116.893   7.033   6.736
  330   1HB   SER  48          1HB       SER  48 115.740   9.237   6.952
  331   2HB   SER  48          2HB       SER  48 115.047   8.685   8.476
  332    HG   SER  48           HG       SER  48 117.835   8.708   7.987
  333    H    ARG  49           H        ARG  49 114.233   5.507   8.187
  334    HA   ARG  49           HA       ARG  49 115.650   4.889  10.656
  335   1HB   ARG  49          1HB       ARG  49 113.240   5.442  10.724
  336   2HB   ARG  49          2HB       ARG  49 112.904   4.027   9.737
  337   1HG   ARG  49          1HG       ARG  49 112.446   3.265  11.859
  338   2HG   ARG  49          2HG       ARG  49 114.111   2.729  11.625
  339   1HD   ARG  49          1HD       ARG  49 114.906   4.712  12.835
  340   2HD   ARG  49          2HD       ARG  49 113.233   5.219  13.087
  341    HE   ARG  49           HE       ARG  49 114.667   3.187  14.526
  342   1HH1  ARG  49          1HH1      ARG  49 111.509   4.316  13.565
  343   2HH1  ARG  49          2HH1      ARG  49 110.692   3.537  14.878
  344   1HH2  ARG  49          1HH2      ARG  49 113.595   2.161  16.256
  345   2HH2  ARG  49          2HH2      ARG  49 111.877   2.315  16.406
  346    H    VAL  50           H        VAL  50 114.579   3.318   7.687
  347    HA   VAL  50           HA       VAL  50 115.526   0.725   8.603
  348    HB   VAL  50           HB       VAL  50 114.557   1.373   5.825
  349   1HG1  VAL  50          1HG1      VAL  50 114.227  -0.911   5.569
  350   2HG1  VAL  50          2HG1      VAL  50 114.248  -1.209   7.308
  351   3HG1  VAL  50          3HG1      VAL  50 115.745  -0.817   6.463
  352   1HG2  VAL  50          1HG2      VAL  50 112.930   2.064   7.657
  353   2HG2  VAL  50          2HG2      VAL  50 112.794   0.346   8.027
  354   3HG2  VAL  50          3HG2      VAL  50 112.333   0.943   6.432
  355    H    PHE  51           H        PHE  51 116.492   3.264   6.361
  356    HA   PHE  51           HA       PHE  51 118.864   1.680   5.644
  357   1HB   PHE  51          1HB       PHE  51 117.698   4.096   4.254
  358   2HB   PHE  51          2HB       PHE  51 119.071   3.146   3.697
  359    HD1  PHE  51           HD1      PHE  51 118.404   0.461   3.693
  360    HD2  PHE  51           HD2      PHE  51 115.790   3.756   3.086
  361    HE1  PHE  51           HE1      PHE  51 116.870  -0.993   2.419
  362    HE2  PHE  51           HE2      PHE  51 114.251   2.310   1.816
  363    HZ   PHE  51           HZ       PHE  51 114.796  -0.062   1.484
  364    H    ALA  52           H        ALA  52 117.828   4.798   6.914
  365    HA   ALA  52           HA       ALA  52 118.958   6.290   8.249
  366   1HB   ALA  52          1HB       ALA  52 121.493   4.739   7.885
  367   2HB   ALA  52          2HB       ALA  52 120.237   4.202   9.001
  368   3HB   ALA  52          3HB       ALA  52 121.012   5.770   9.233
  369    H    MET  53           H        MET  53 119.029   6.024   5.184
  370    HA   MET  53           HA       MET  53 120.960   8.196   4.739
  371   1HB   MET  53          1HB       MET  53 120.919   6.941   2.327
  372   2HB   MET  53          2HB       MET  53 122.172   6.743   3.546
  373   1HG   MET  53          1HG       MET  53 121.468   4.666   4.145
  374   2HG   MET  53          2HG       MET  53 119.784   4.994   3.726
  375   1HE   MET  53          1HE       MET  53 119.112   5.575   1.330
  376   2HE   MET  53          2HE       MET  53 119.770   4.775  -0.097
  377   3HE   MET  53          3HE       MET  53 120.555   6.214   0.540
  378    H    SER  54           H        SER  54 120.488   9.467   2.820
  379    HA   SER  54           HA       SER  54 117.771  10.281   2.826
  380   1HB   SER  54          1HB       SER  54 119.771  11.770   2.492
  381   2HB   SER  54          2HB       SER  54 119.938  11.078   0.874
  382    HG   SER  54           HG       SER  54 117.650  11.785   0.623
  383    HA   PRO  55           HA       PRO  55 115.914   7.691  -0.275
  384   1HB   PRO  55          1HB       PRO  55 114.708  10.270  -1.181
  385   2HB   PRO  55          2HB       PRO  55 113.923   8.721  -0.850
  386   1HG   PRO  55          1HG       PRO  55 113.747  10.738   0.886
  387   2HG   PRO  55          2HG       PRO  55 113.913   9.060   1.441
  388   1HD   PRO  55          1HD       PRO  55 115.923  11.255   1.412
  389   2HD   PRO  55          2HD       PRO  55 115.745   9.897   2.544
  390    H    GLU  56           H        GLU  56 117.458  10.742  -1.000
  391    HA   GLU  56           HA       GLU  56 117.806  10.172  -3.800
  392   1HB   GLU  56          1HB       GLU  56 118.965  12.253  -3.917
  393   2HB   GLU  56          2HB       GLU  56 117.615  12.492  -2.812
  394   1HG   GLU  56          1HG       GLU  56 119.100  12.291  -0.908
  395   2HG   GLU  56          2HG       GLU  56 120.464  11.975  -1.986
  396    H    GLU  57           H        GLU  57 119.632   9.893  -0.822
  397    HA   GLU  57           HA       GLU  57 122.180   9.434  -1.796
  398   1HB   GLU  57          1HB       GLU  57 120.747   8.768   0.714
  399   2HB   GLU  57          2HB       GLU  57 122.072   7.683   0.314
  400   1HG   GLU  57          1HG       GLU  57 123.225  10.094  -0.129
  401   2HG   GLU  57          2HG       GLU  57 122.117  10.471   1.188
  402    H    PHE  58           H        PHE  58 119.615   7.022  -1.189
  403    HA   PHE  58           HA       PHE  58 120.821   4.683  -1.954
  404   1HB   PHE  58          1HB       PHE  58 118.268   5.415  -1.383
  405   2HB   PHE  58          2HB       PHE  58 118.120   5.132  -3.116
  406    HD1  PHE  58           HD1      PHE  58 118.303   3.632   0.140
  407    HD2  PHE  58           HD2      PHE  58 118.762   2.866  -4.022
  408    HE1  PHE  58           HE1      PHE  58 118.045   1.227   0.562
  409    HE2  PHE  58           HE2      PHE  58 118.503   0.455  -3.604
  410    HZ   PHE  58           HZ       PHE  58 118.147  -0.369  -1.309
  411    H    GLY  59           H        GLY  59 118.902   6.643  -4.251
  412   1HA   GLY  59          1HA       GLY  59 119.658   5.333  -6.567
  413   2HA   GLY  59          2HA       GLY  59 119.171   7.020  -6.501
  414    H    LYS  60           H        LYS  60 121.497   7.574  -4.664
  415    HA   LYS  60           HA       LYS  60 123.466   7.908  -6.799
  416   1HB   LYS  60          1HB       LYS  60 122.804   9.346  -4.296
  417   2HB   LYS  60          2HB       LYS  60 124.511   9.301  -4.735
  418   1HG   LYS  60          1HG       LYS  60 124.024  11.129  -5.923
  419   2HG   LYS  60          2HG       LYS  60 123.379   9.983  -7.106
  420   1HD   LYS  60          1HD       LYS  60 121.526  10.753  -4.949
  421   2HD   LYS  60          2HD       LYS  60 121.974  12.051  -6.059
  422   1HE   LYS  60          1HE       LYS  60 121.479  10.093  -7.827
  423   2HE   LYS  60          2HE       LYS  60 120.387   9.601  -6.533
  424   1HZ   LYS  60          1HZ       LYS  60 119.081  11.008  -7.769
  425   2HZ   LYS  60          2HZ       LYS  60 120.352  12.053  -8.158
  426   3HZ   LYS  60          3HZ       LYS  60 119.684  12.077  -6.604
  427    H    LEU  61           H        LEU  61 122.870   5.625  -4.519
  428    HA   LEU  61           HA       LEU  61 125.513   5.275  -3.489
  429   1HB   LEU  61          1HB       LEU  61 123.023   3.561  -3.406
  430   2HB   LEU  61          2HB       LEU  61 124.496   3.191  -2.541
  431    HG   LEU  61           HG       LEU  61 122.569   5.407  -2.031
  432   1HD1  LEU  61          1HD1      LEU  61 123.406   2.918  -0.745
  433   2HD1  LEU  61          2HD1      LEU  61 121.874   3.786  -0.664
  434   3HD1  LEU  61          3HD1      LEU  61 123.233   4.300   0.336
  435   1HD2  LEU  61          1HD2      LEU  61 124.448   5.827  -0.155
  436   2HD2  LEU  61          2HD2      LEU  61 124.376   6.721  -1.673
  437   3HD2  LEU  61          3HD2      LEU  61 125.471   5.347  -1.509
  438    H    ALA  62           H        ALA  62 125.181   2.286  -3.844
  439    HA   ALA  62           HA       ALA  62 126.004   2.079  -6.656
  440   1HB   ALA  62          1HB       ALA  62 127.281   0.495  -4.442
  441   2HB   ALA  62          2HB       ALA  62 127.921   2.037  -5.012
  442   3HB   ALA  62          3HB       ALA  62 127.816   0.664  -6.114
  443    H    LEU  63           H        LEU  63 126.301  -0.510  -7.047
  444    HA   LEU  63           HA       LEU  63 123.614  -1.526  -6.860
  445   1HB   LEU  63          1HB       LEU  63 125.218  -1.757  -8.825
  446   2HB   LEU  63          2HB       LEU  63 126.021  -3.003  -7.887
  447    HG   LEU  63           HG       LEU  63 123.204  -3.539  -7.961
  448   1HD1  LEU  63          1HD1      LEU  63 122.989  -2.365  -9.989
  449   2HD1  LEU  63          2HD1      LEU  63 123.136  -4.067 -10.433
  450   3HD1  LEU  63          3HD1      LEU  63 124.522  -2.989 -10.604
  451   1HD2  LEU  63          1HD2      LEU  63 125.161  -5.179  -9.459
  452   2HD2  LEU  63          2HD2      LEU  63 123.918  -5.664  -8.306
  453   3HD2  LEU  63          3HD2      LEU  63 125.435  -4.968  -7.729
  454    H    TRP  64           H        TRP  64 126.619  -2.041  -5.207
  455    HA   TRP  64           HA       TRP  64 125.748  -4.473  -3.924
  456   1HB   TRP  64          1HB       TRP  64 127.950  -4.138  -2.708
  457   2HB   TRP  64          2HB       TRP  64 128.080  -4.312  -4.465
  458    HD1  TRP  64           HD1      TRP  64 129.091  -2.282  -5.779
  459    HE1  TRP  64           HE1      TRP  64 130.008   0.014  -5.080
  460    HE3  TRP  64           HE3      TRP  64 127.469  -2.280  -1.055
  461    HZ2  TRP  64           HZ2      TRP  64 130.028   1.618  -2.704
  462    HZ3  TRP  64           HZ3      TRP  64 127.972  -0.329   0.404
  463    HH2  TRP  64           HH2      TRP  64 129.210   1.571  -0.419
  464    H    LYS  65           H        LYS  65 126.071  -1.069  -3.378
  465    HA   LYS  65           HA       LYS  65 125.530  -1.089  -0.579
  466   1HB   LYS  65          1HB       LYS  65 126.458   0.803  -2.224
  467   2HB   LYS  65          2HB       LYS  65 124.757   1.263  -2.228
  468   1HG   LYS  65          1HG       LYS  65 124.752   1.688   0.079
  469   2HG   LYS  65          2HG       LYS  65 126.283   0.837   0.322
  470   1HD   LYS  65          1HD       LYS  65 127.393   2.578  -1.067
  471   2HD   LYS  65          2HD       LYS  65 125.862   3.456  -1.114
  472   1HE   LYS  65          1HE       LYS  65 126.551   4.480   0.746
  473   2HE   LYS  65          2HE       LYS  65 126.227   2.951   1.575
  474   1HZ   LYS  65          1HZ       LYS  65 128.533   4.045   1.805
  475   2HZ   LYS  65          2HZ       LYS  65 128.830   3.407   0.267
  476   3HZ   LYS  65          3HZ       LYS  65 128.447   2.374   1.551
  477    H    ARG  66           H        ARG  66 123.504  -0.063  -3.334
  478    HA   ARG  66           HA       ARG  66 121.088   0.217  -2.052
  479   1HB   ARG  66          1HB       ARG  66 121.638  -0.869  -4.816
  480   2HB   ARG  66          2HB       ARG  66 120.050  -0.372  -4.249
  481   1HG   ARG  66          1HG       ARG  66 120.809   1.885  -3.955
  482   2HG   ARG  66          2HG       ARG  66 122.457   1.410  -4.365
  483   1HD   ARG  66          1HD       ARG  66 120.137   1.063  -6.251
  484   2HD   ARG  66          2HD       ARG  66 121.120   2.534  -6.197
  485    HE   ARG  66           HE       ARG  66 122.655   0.127  -6.511
  486   1HH1  ARG  66          1HH1      ARG  66 120.859   2.608  -8.181
  487   2HH1  ARG  66          2HH1      ARG  66 121.692   2.377  -9.681
  488   1HH2  ARG  66          1HH2      ARG  66 123.753  -0.181  -8.483
  489   2HH2  ARG  66          2HH2      ARG  66 123.335   0.793  -9.854
  490    H    ASN  67           H        ASN  67 122.576  -2.681  -3.340
  491    HA   ASN  67           HA       ASN  67 120.483  -4.486  -2.862
  492   1HB   ASN  67          1HB       ASN  67 123.375  -4.664  -3.382
  493   2HB   ASN  67          2HB       ASN  67 122.722  -6.021  -2.462
  494   1HD2  ASN  67          1HD2      ASN  67 122.071  -4.066  -5.342
  495   2HD2  ASN  67          2HD2      ASN  67 121.469  -5.370  -6.303
  496    H    GLU  68           H        GLU  68 123.428  -4.167  -0.885
  497    HA   GLU  68           HA       GLU  68 122.718  -5.626   1.290
  498   1HB   GLU  68          1HB       GLU  68 124.802  -3.971   0.676
  499   2HB   GLU  68          2HB       GLU  68 124.052  -3.108   2.011
  500   1HG   GLU  68          1HG       GLU  68 124.113  -5.383   3.221
  501   2HG   GLU  68          2HG       GLU  68 125.287  -5.831   1.983
  502    H    LEU  69           H        LEU  69 121.798  -2.253   0.661
  503    HA   LEU  69           HA       LEU  69 120.570  -1.793   3.157
  504   1HB   LEU  69          1HB       LEU  69 119.725  -0.549   0.553
  505   2HB   LEU  69          2HB       LEU  69 119.545   0.110   2.168
  506    HG   LEU  69           HG       LEU  69 122.274  -0.464   1.242
  507   1HD1  LEU  69          1HD1      LEU  69 122.327   0.971  -0.446
  508   2HD1  LEU  69          2HD1      LEU  69 121.493   2.199   0.499
  509   3HD1  LEU  69          3HD1      LEU  69 120.567   0.993  -0.383
  510   1HD2  LEU  69          1HD2      LEU  69 122.172   0.374   3.416
  511   2HD2  LEU  69          2HD2      LEU  69 120.920   1.544   2.999
  512   3HD2  LEU  69          3HD2      LEU  69 122.574   1.786   2.438
  513    H    LYS  70           H        LYS  70 119.055  -2.406   0.020
  514    HA   LYS  70           HA       LYS  70 116.463  -2.943   1.004
  515   1HB   LYS  70          1HB       LYS  70 117.940  -3.487  -1.527
  516   2HB   LYS  70          2HB       LYS  70 116.453  -4.378  -1.241
  517   1HG   LYS  70          1HG       LYS  70 115.151  -2.434  -1.227
  518   2HG   LYS  70          2HG       LYS  70 116.560  -1.393  -1.008
  519   1HD   LYS  70          1HD       LYS  70 116.056  -1.099  -3.253
  520   2HD   LYS  70          2HD       LYS  70 117.310  -2.340  -3.300
  521   1HE   LYS  70          1HE       LYS  70 115.337  -2.789  -4.774
  522   2HE   LYS  70          2HE       LYS  70 115.699  -4.066  -3.613
  523   1HZ   LYS  70          1HZ       LYS  70 113.817  -3.664  -2.441
  524   2HZ   LYS  70          2HZ       LYS  70 113.271  -3.137  -3.952
  525   3HZ   LYS  70          3HZ       LYS  70 113.788  -2.011  -2.802
  526    H    LYS  71           H        LYS  71 119.361  -4.774   0.999
  527    HA   LYS  71           HA       LYS  71 118.072  -7.337   1.355
  528   1HB   LYS  71          1HB       LYS  71 120.931  -6.386   1.238
  529   2HB   LYS  71          2HB       LYS  71 120.529  -8.035   1.728
  530   1HG   LYS  71          1HG       LYS  71 119.566  -8.515  -0.382
  531   2HG   LYS  71          2HG       LYS  71 119.597  -6.813  -0.853
  532   1HD   LYS  71          1HD       LYS  71 121.425  -7.699  -1.984
  533   2HD   LYS  71          2HD       LYS  71 122.156  -7.017  -0.530
  534   1HE   LYS  71          1HE       LYS  71 122.157  -9.222   0.513
  535   2HE   LYS  71          2HE       LYS  71 121.394  -9.910  -0.919
  536   1HZ   LYS  71          1HZ       LYS  71 123.869  -8.445  -1.356
  537   2HZ   LYS  71          2HZ       LYS  71 123.317  -9.876  -2.070
  538   3HZ   LYS  71          3HZ       LYS  71 124.013  -9.913  -0.528
  539    H    LYS  72           H        LYS  72 119.441  -4.818   3.312
  540    HA   LYS  72           HA       LYS  72 119.349  -6.477   5.705
  541   1HB   LYS  72          1HB       LYS  72 121.352  -5.141   5.468
  542   2HB   LYS  72          2HB       LYS  72 120.398  -3.685   5.226
  543   1HG   LYS  72          1HG       LYS  72 119.674  -4.905   7.714
  544   2HG   LYS  72          2HG       LYS  72 121.427  -4.702   7.631
  545   1HD   LYS  72          1HD       LYS  72 121.052  -2.595   8.288
  546   2HD   LYS  72          2HD       LYS  72 120.483  -2.314   6.641
  547   1HE   LYS  72          1HE       LYS  72 118.833  -1.494   8.184
  548   2HE   LYS  72          2HE       LYS  72 118.197  -2.928   7.380
  549   1HZ   LYS  72          1HZ       LYS  72 118.182  -4.097   9.288
  550   2HZ   LYS  72          2HZ       LYS  72 118.123  -2.567  10.009
  551   3HZ   LYS  72          3HZ       LYS  72 119.598  -3.387   9.884
  552    H    ALA  73           H        ALA  73 117.646  -4.079   3.992
  553    HA   ALA  73           HA       ALA  73 116.057  -3.125   6.198
  554   1HB   ALA  73          1HB       ALA  73 116.275  -2.585   3.288
  555   2HB   ALA  73          2HB       ALA  73 116.311  -1.462   4.647
  556   3HB   ALA  73          3HB       ALA  73 114.776  -2.146   4.106
  557    H    GLU  74           H        GLU  74 116.080  -6.001   4.681
  558    HA   GLU  74           HA       GLU  74 114.605  -7.714   4.556
  559   1HB   GLU  74          1HB       GLU  74 112.682  -5.820   5.921
  560   2HB   GLU  74          2HB       GLU  74 112.424  -7.542   5.696
  561   1HG   GLU  74          1HG       GLU  74 113.489  -7.969   7.579
  562   2HG   GLU  74          2HG       GLU  74 114.941  -7.185   6.958
  563    H    LEU  75           H        LEU  75 114.695  -5.268   2.650
  564    HA   LEU  75           HA       LEU  75 112.477  -6.214   1.039
  565   1HB   LEU  75          1HB       LEU  75 112.546  -3.533   0.376
  566   2HB   LEU  75          2HB       LEU  75 111.287  -4.363   1.282
  567    HG   LEU  75           HG       LEU  75 113.148  -3.728   3.195
  568   1HD1  LEU  75          1HD1      LEU  75 114.497  -2.314   1.896
  569   2HD1  LEU  75          2HD1      LEU  75 113.427  -1.226   2.784
  570   3HD1  LEU  75          3HD1      LEU  75 113.103  -1.596   1.086
  571   1HD2  LEU  75          1HD2      LEU  75 111.037  -3.330   3.880
  572   2HD2  LEU  75          2HD2      LEU  75 110.525  -2.739   2.300
  573   3HD2  LEU  75          3HD2      LEU  75 111.415  -1.678   3.392
  574    H    PHE  76           H        PHE  76 114.402  -7.351   0.159
  575    HA   PHE  76           HA       PHE  76 115.527  -5.727  -2.026
  576   1HB   PHE  76          1HB       PHE  76 117.516  -6.100  -0.981
  577   2HB   PHE  76          2HB       PHE  76 116.918  -7.516  -0.114
  578    HD1  PHE  76           HD1      PHE  76 118.352  -6.300  -3.275
  579    HD2  PHE  76           HD2      PHE  76 117.201  -9.713  -1.007
  580    HE1  PHE  76           HE1      PHE  76 119.562  -7.751  -4.851
  581    HE2  PHE  76           HE2      PHE  76 118.410 -11.169  -2.579
  582    HZ   PHE  76           HZ       PHE  76 119.592 -10.188  -4.504
  Start of MODEL    4
    1    HT1  PRO   9           HT1      PRO   9 100.655  12.872  -9.359
    2    HT2  PRO   9           HT2      PRO   9 101.474  12.423  -8.005
    3    HA   PRO   9           HA       PRO   9 102.319  13.646 -10.331
    4   1HB   PRO   9          1HB       PRO   9 104.066  14.751  -8.403
    5   2HB   PRO   9          2HB       PRO   9 102.994  15.626  -9.504
    6   1HG   PRO   9          1HG       PRO   9 102.560  14.828  -6.673
    7   2HG   PRO   9          2HG       PRO   9 101.976  16.259  -7.543
    8   1HD   PRO   9          1HD       PRO   9 100.317  14.256  -6.962
    9   2HD   PRO   9          2HD       PRO   9 100.207  15.093  -8.522
   10    H    GLY  10           H        GLY  10 103.285  12.530  -7.080
   11   1HA   GLY  10          1HA       GLY  10 105.423  10.934  -8.304
   12   2HA   GLY  10          2HA       GLY  10 105.278  11.319  -6.597
   13    H    LEU  11           H        LEU  11 105.331   9.350  -5.732
   14    HA   LEU  11           HA       LEU  11 103.254   7.452  -6.584
   15   1HB   LEU  11          1HB       LEU  11 104.777   5.707  -5.615
   16   2HB   LEU  11          2HB       LEU  11 105.309   6.458  -7.106
   17    HG   LEU  11           HG       LEU  11 106.475   8.000  -5.097
   18   1HD1  LEU  11          1HD1      LEU  11 105.751   5.868  -3.716
   19   2HD1  LEU  11          2HD1      LEU  11 107.301   6.667  -3.447
   20   3HD1  LEU  11          3HD1      LEU  11 107.221   5.206  -4.432
   21   1HD2  LEU  11          1HD2      LEU  11 107.878   7.724  -6.829
   22   2HD2  LEU  11          2HD2      LEU  11 107.295   6.096  -7.175
   23   3HD2  LEU  11          3HD2      LEU  11 108.474   6.356  -5.888
   24    H    GLN  12           H        GLN  12 102.529   5.958  -4.840
   25    HA   GLN  12           HA       GLN  12 101.780   7.491  -2.531
   26   1HB   GLN  12          1HB       GLN  12 100.777   5.156  -1.869
   27   2HB   GLN  12          2HB       GLN  12 100.039   6.115  -3.144
   28   1HG   GLN  12          1HG       GLN  12 102.127   4.193  -3.966
   29   2HG   GLN  12          2HG       GLN  12 100.602   3.519  -3.393
   30   1HE2  GLN  12          1HE2      GLN  12  98.775   3.746  -4.614
   31   2HE2  GLN  12          2HE2      GLN  12  98.779   4.380  -6.220
   32    H    ILE  13           H        ILE  13 102.305   7.121  -0.383
   33    HA   ILE  13           HA       ILE  13 104.593   5.334   0.094
   34    HB   ILE  13           HB       ILE  13 104.197   8.052   1.349
   35   1HG1  ILE  13          1HG1      ILE  13 105.850   7.121  -0.990
   36   2HG1  ILE  13          2HG1      ILE  13 104.763   8.506  -0.892
   37   1HG2  ILE  13          1HG2      ILE  13 105.443   6.136   2.566
   38   2HG2  ILE  13          2HG2      ILE  13 106.189   7.732   2.483
   39   3HG2  ILE  13          3HG2      ILE  13 106.721   6.452   1.392
   40   1HD1  ILE  13          1HD1      ILE  13 106.599   9.724  -0.626
   41   2HD1  ILE  13          2HD1      ILE  13 107.592   8.305  -0.292
   42   3HD1  ILE  13          3HD1      ILE  13 106.673   9.064   1.008
   43    H    TYR  14           H        TYR  14 104.248   3.888   1.630
   44    HA   TYR  14           HA       TYR  14 102.258   4.463   3.726
   45   1HB   TYR  14          1HB       TYR  14 102.757   1.707   2.606
   46   2HB   TYR  14          2HB       TYR  14 101.412   2.251   3.604
   47    HD1  TYR  14           HD1      TYR  14  99.441   3.081   2.633
   48    HD2  TYR  14           HD2      TYR  14 102.904   2.543   0.220
   49    HE1  TYR  14           HE1      TYR  14  98.091   3.478   0.618
   50    HE2  TYR  14           HE2      TYR  14 101.564   2.939  -1.800
   51    HH   TYR  14           HH       TYR  14  98.717   2.614  -2.216
   52    HA   PRO  15           HA       PRO  15 104.916   3.225   7.041
   53   1HB   PRO  15          1HB       PRO  15 103.480   0.600   7.206
   54   2HB   PRO  15          2HB       PRO  15 103.919   1.725   8.502
   55   1HG   PRO  15          1HG       PRO  15 101.426   1.646   7.611
   56   2HG   PRO  15          2HG       PRO  15 102.195   3.202   7.978
   57   1HD   PRO  15          1HD       PRO  15 101.623   1.943   5.338
   58   2HD   PRO  15          2HD       PRO  15 101.608   3.660   5.798
   59    H    TYR  16           H        TYR  16 106.595   1.631   7.692
   60    HA   TYR  16           HA       TYR  16 107.820   0.500   5.336
   61   1HB   TYR  16          1HB       TYR  16 109.400   1.598   6.630
   62   2HB   TYR  16          2HB       TYR  16 108.697   1.043   8.147
   63    HD1  TYR  16           HD1      TYR  16 110.814   0.070   5.288
   64    HD2  TYR  16           HD2      TYR  16 109.359  -1.001   9.132
   65    HE1  TYR  16           HE1      TYR  16 112.478  -1.734   5.387
   66    HE2  TYR  16           HE2      TYR  16 111.021  -2.814   9.264
   67    HH   TYR  16           HH       TYR  16 113.551  -3.091   7.895
   68    H    GLU  17           H        GLU  17 107.152  -0.774   8.612
   69    HA   GLU  17           HA       GLU  17 107.673  -3.433   8.199
   70   1HB   GLU  17          1HB       GLU  17 106.161  -1.877  10.100
   71   2HB   GLU  17          2HB       GLU  17 105.331  -3.391   9.772
   72   1HG   GLU  17          1HG       GLU  17 107.082  -4.678  10.572
   73   2HG   GLU  17          2HG       GLU  17 108.254  -3.369  10.394
   74    H    MET  18           H        MET  18 104.803  -1.644   7.237
   75    HA   MET  18           HA       MET  18 103.360  -3.970   6.368
   76   1HB   MET  18          1HB       MET  18 102.086  -2.058   7.058
   77   2HB   MET  18          2HB       MET  18 102.946  -1.008   5.941
   78   1HG   MET  18          1HG       MET  18 101.568  -1.486   4.269
   79   2HG   MET  18          2HG       MET  18 101.651  -3.220   4.586
   80   1HE   MET  18          1HE       MET  18 100.517  -3.772   7.349
   81   2HE   MET  18          2HE       MET  18  99.941  -4.571   5.886
   82   3HE   MET  18          3HE       MET  18  98.786  -3.890   7.032
   83    H    LEU  19           H        LEU  19 105.613  -1.726   4.991
   84    HA   LEU  19           HA       LEU  19 105.136  -2.617   2.268
   85   1HB   LEU  19          1HB       LEU  19 106.898  -0.543   3.527
   86   2HB   LEU  19          2HB       LEU  19 107.081  -0.992   1.840
   87    HG   LEU  19           HG       LEU  19 104.537   0.087   3.054
   88   1HD1  LEU  19          1HD1      LEU  19 106.501   1.679   3.015
   89   2HD1  LEU  19          2HD1      LEU  19 105.066   2.192   2.128
   90   3HD1  LEU  19          3HD1      LEU  19 106.456   1.546   1.257
   91   1HD2  LEU  19          1HD2      LEU  19 104.317   0.529   0.442
   92   2HD2  LEU  19          2HD2      LEU  19 103.784  -0.970   1.203
   93   3HD2  LEU  19          3HD2      LEU  19 105.349  -0.900   0.393
   94    H    VAL  20           H        VAL  20 106.771  -3.925   4.797
   95    HA   VAL  20           HA       VAL  20 109.325  -4.476   3.761
   96    HB   VAL  20           HB       VAL  20 107.775  -6.325   5.578
   97   1HG1  VAL  20          1HG1      VAL  20 110.622  -5.977   4.829
   98   2HG1  VAL  20          2HG1      VAL  20 109.714  -7.455   5.155
   99   3HG1  VAL  20          3HG1      VAL  20 110.248  -6.429   6.491
  100   1HG2  VAL  20          1HG2      VAL  20 109.542  -4.090   6.498
  101   2HG2  VAL  20          2HG2      VAL  20 108.406  -5.060   7.434
  102   3HG2  VAL  20          3HG2      VAL  20 107.810  -3.880   6.275
  103    H    VAL  21           H        VAL  21 110.066  -6.740   3.068
  104    HA   VAL  21           HA       VAL  21 108.211  -7.605   0.974
  105    HB   VAL  21           HB       VAL  21 111.159  -8.153   1.257
  106   1HG1  VAL  21          1HG1      VAL  21 110.931  -8.627  -1.218
  107   2HG1  VAL  21          2HG1      VAL  21 109.189  -8.672  -0.954
  108   3HG1  VAL  21          3HG1      VAL  21 110.238  -9.825  -0.127
  109   1HG2  VAL  21          1HG2      VAL  21 110.724  -5.772   1.023
  110   2HG2  VAL  21          2HG2      VAL  21 109.720  -6.084  -0.395
  111   3HG2  VAL  21          3HG2      VAL  21 111.450  -6.420  -0.449
  112    H    THR  22           H        THR  22 110.736  -9.344   2.830
  113    HA   THR  22           HA       THR  22 108.960 -11.686   2.799
  114    HB   THR  22           HB       THR  22 111.955 -11.471   3.105
  115    HG1  THR  22           HG1      THR  22 110.400 -12.699   1.083
  116   1HG2  THR  22          1HG2      THR  22 111.027 -13.364   4.432
  117   2HG2  THR  22          2HG2      THR  22 112.100 -13.845   3.118
  118   3HG2  THR  22          3HG2      THR  22 110.354 -14.010   2.935
  119    H    ASN  23           H        ASN  23 111.248 -10.035   4.918
  120    HA   ASN  23           HA       ASN  23 111.087 -11.410   7.219
  121   1HB   ASN  23          1HB       ASN  23 111.071  -8.401   6.940
  122   2HB   ASN  23          2HB       ASN  23 111.507  -9.280   8.408
  123   1HD2  ASN  23          1HD2      ASN  23 112.425  -8.592   5.094
  124   2HD2  ASN  23          2HD2      ASN  23 114.076  -9.079   5.256
  125    H    LYS  24           H        LYS  24 108.455  -9.541   5.886
  126    HA   LYS  24           HA       LYS  24 106.915 -10.059   8.343
  127   1HB   LYS  24          1HB       LYS  24 107.049  -7.748   6.549
  128   2HB   LYS  24          2HB       LYS  24 105.406  -8.249   6.930
  129   1HG   LYS  24          1HG       LYS  24 106.421  -6.494   8.428
  130   2HG   LYS  24          2HG       LYS  24 105.722  -7.897   9.234
  131   1HD   LYS  24          1HD       LYS  24 107.834  -7.332  10.267
  132   2HD   LYS  24          2HD       LYS  24 107.983  -8.875   9.425
  133   1HE   LYS  24          1HE       LYS  24 109.775  -8.027   8.416
  134   2HE   LYS  24          2HE       LYS  24 108.673  -6.988   7.517
  135   1HZ   LYS  24          1HZ       LYS  24 110.209  -6.353   9.961
  136   2HZ   LYS  24          2HZ       LYS  24 108.874  -5.426   9.493
  137   3HZ   LYS  24          3HZ       LYS  24 110.218  -5.547   8.473
  138    H    GLY  25           H        GLY  25 107.365 -11.920   6.082
  139   1HA   GLY  25          1HA       GLY  25 105.651 -13.627   5.675
  140   2HA   GLY  25          2HA       GLY  25 104.525 -12.316   5.364
  141    H    ARG  26           H        ARG  26 104.433 -11.387   3.368
  142    HA   ARG  26           HA       ARG  26 106.348 -12.285   1.351
  143   1HB   ARG  26          1HB       ARG  26 103.414 -12.221   0.718
  144   2HB   ARG  26          2HB       ARG  26 104.711 -13.033  -0.134
  145   1HG   ARG  26          1HG       ARG  26 103.931 -14.876   0.845
  146   2HG   ARG  26          2HG       ARG  26 104.797 -14.294   2.267
  147   1HD   ARG  26          1HD       ARG  26 102.872 -13.489   3.269
  148   2HD   ARG  26          2HD       ARG  26 102.001 -13.378   1.740
  149    HE   ARG  26           HE       ARG  26 102.685 -16.067   2.514
  150   1HH1  ARG  26          1HH1      ARG  26 100.318 -13.515   2.773
  151   2HH1  ARG  26          2HH1      ARG  26  99.014 -14.592   3.143
  152   1HH2  ARG  26          1HH2      ARG  26 100.973 -17.484   3.000
  153   2HH2  ARG  26          2HH2      ARG  26  99.385 -16.847   3.272
  154    H    THR  27           H        THR  27 104.857 -11.056  -0.814
  155    HA   THR  27           HA       THR  27 105.791  -8.430  -0.513
  156    HB   THR  27           HB       THR  27 105.497  -9.599  -2.702
  157    HG1  THR  27           HG1      THR  27 104.052  -7.195  -2.800
  158   1HG2  THR  27          1HG2      THR  27 103.441  -9.681  -3.837
  159   2HG2  THR  27          2HG2      THR  27 102.617  -8.776  -2.567
  160   3HG2  THR  27          3HG2      THR  27 103.169 -10.426  -2.263
  161    H    LYS  28           H        LYS  28 102.387  -9.515  -0.755
  162    HA   LYS  28           HA       LYS  28 100.456  -8.444  -0.129
  163   1HB   LYS  28          1HB       LYS  28 102.157  -8.235   2.345
  164   2HB   LYS  28          2HB       LYS  28 100.395  -8.159   2.303
  165   1HG   LYS  28          1HG       LYS  28 100.341 -10.352   2.552
  166   2HG   LYS  28          2HG       LYS  28 101.137 -10.524   0.984
  167   1HD   LYS  28          1HD       LYS  28 102.607 -11.625   2.376
  168   2HD   LYS  28          2HD       LYS  28 103.298 -10.002   2.333
  169   1HE   LYS  28          1HE       LYS  28 103.302 -10.316   4.587
  170   2HE   LYS  28          2HE       LYS  28 101.664  -9.688   4.411
  171   1HZ   LYS  28          1HZ       LYS  28 101.031 -11.538   5.444
  172   2HZ   LYS  28          2HZ       LYS  28 102.537 -12.282   5.248
  173   3HZ   LYS  28          3HZ       LYS  28 101.385 -12.367   4.012
  174    H    LEU  29           H        LEU  29 102.547  -6.575  -1.239
  175    HA   LEU  29           HA       LEU  29 102.673  -4.202   0.172
  176   1HB   LEU  29          1HB       LEU  29 102.964  -5.042  -2.634
  177   2HB   LEU  29          2HB       LEU  29 102.700  -3.336  -2.374
  178    HG   LEU  29           HG       LEU  29 105.006  -3.586  -2.511
  179   1HD1  LEU  29          1HD1      LEU  29 104.354  -3.614   0.430
  180   2HD1  LEU  29          2HD1      LEU  29 104.342  -2.201  -0.622
  181   3HD1  LEU  29          3HD1      LEU  29 105.854  -3.042  -0.288
  182   1HD2  LEU  29          1HD2      LEU  29 105.926  -5.335  -0.620
  183   2HD2  LEU  29          2HD2      LEU  29 105.775  -5.668  -2.344
  184   3HD2  LEU  29          3HD2      LEU  29 104.490  -6.146  -1.238
  185    HA   PRO  30           HA       PRO  30  98.579  -2.480   0.057
  186   1HB   PRO  30          1HB       PRO  30  99.390   0.180  -0.037
  187   2HB   PRO  30          2HB       PRO  30  99.201  -0.767   1.444
  188   1HG   PRO  30          1HG       PRO  30 101.674  -0.138  -0.112
  189   2HG   PRO  30          2HG       PRO  30 101.440  -0.222   1.646
  190   1HD   PRO  30          1HD       PRO  30 102.643  -2.208   0.293
  191   2HD   PRO  30          2HD       PRO  30 101.575  -2.537   1.678
  192    HA   PRO  31           HA       PRO  31  97.771  -1.199  -4.109
  193   1HB   PRO  31          1HB       PRO  31  96.631   1.424  -3.513
  194   2HB   PRO  31          2HB       PRO  31  95.821  -0.045  -4.066
  195   1HG   PRO  31          1HG       PRO  31  95.488   0.955  -1.571
  196   2HG   PRO  31          2HG       PRO  31  95.408  -0.780  -1.927
  197   1HD   PRO  31          1HD       PRO  31  97.660   0.813  -0.757
  198   2HD   PRO  31          2HD       PRO  31  97.060  -0.797  -0.299
  199    H    GLY  32           H        GLY  32  99.628  -0.820  -5.245
  200   1HA   GLY  32          1HA       GLY  32 100.703   0.782  -6.675
  201   2HA   GLY  32          2HA       GLY  32 100.488   1.989  -5.422
  202    H    VAL  33           H        VAL  33 101.856  -1.285  -5.129
  203    HA   VAL  33           HA       VAL  33 104.501  -0.123  -4.690
  204    HB   VAL  33           HB       VAL  33 104.175  -2.208  -2.797
  205   1HG1  VAL  33          1HG1      VAL  33 104.470   0.585  -1.925
  206   2HG1  VAL  33          2HG1      VAL  33 105.671  -0.021  -3.064
  207   3HG1  VAL  33          3HG1      VAL  33 105.428  -0.839  -1.523
  208   1HG2  VAL  33          1HG2      VAL  33 102.495   0.042  -1.908
  209   2HG2  VAL  33          2HG2      VAL  33 102.412  -1.671  -1.502
  210   3HG2  VAL  33          3HG2      VAL  33 101.755  -1.099  -3.029
  211    H    ASP  34           H        ASP  34 105.952  -1.105  -5.830
  212    HA   ASP  34           HA       ASP  34 105.551  -3.940  -6.512
  213   1HB   ASP  34          1HB       ASP  34 105.558  -1.925  -8.320
  214   2HB   ASP  34          2HB       ASP  34 107.283  -2.292  -8.263
  215    H    ARG  35           H        ARG  35 107.379  -5.275  -6.508
  216    HA   ARG  35           HA       ARG  35 109.306  -4.640  -4.539
  217   1HB   ARG  35          1HB       ARG  35 109.505  -6.878  -6.550
  218   2HB   ARG  35          2HB       ARG  35 110.219  -6.809  -4.944
  219   1HG   ARG  35          1HG       ARG  35 107.279  -6.578  -5.077
  220   2HG   ARG  35          2HG       ARG  35 107.971  -8.147  -5.507
  221   1HD   ARG  35          1HD       ARG  35 108.825  -6.719  -3.013
  222   2HD   ARG  35          2HD       ARG  35 107.344  -7.676  -3.041
  223    HE   ARG  35           HE       ARG  35 110.016  -8.664  -2.960
  224   1HH1  ARG  35          1HH1      ARG  35 106.817  -9.368  -4.159
  225   2HH1  ARG  35          2HH1      ARG  35 107.063 -11.082  -4.177
  226   1HH2  ARG  35          1HH2      ARG  35 110.345 -10.919  -2.981
  227   2HH2  ARG  35          2HH2      ARG  35 109.065 -11.963  -3.507
  228    H    MET  36           H        MET  36 109.160  -3.809  -7.806
  229    HA   MET  36           HA       MET  36 111.851  -3.980  -8.581
  230   1HB   MET  36          1HB       MET  36 109.418  -2.789  -9.591
  231   2HB   MET  36          2HB       MET  36 110.783  -1.710  -9.840
  232   1HG   MET  36          1HG       MET  36 110.942  -4.598 -10.606
  233   2HG   MET  36          2HG       MET  36 110.196  -3.404 -11.673
  234   1HE   MET  36          1HE       MET  36 112.555  -1.369 -13.144
  235   2HE   MET  36          2HE       MET  36 112.740  -0.714 -11.517
  236   3HE   MET  36          3HE       MET  36 111.155  -1.247 -12.078
  237    H    ARG  37           H        ARG  37 110.059  -1.411  -6.924
  238    HA   ARG  37           HA       ARG  37 112.605  -0.307  -6.010
  239   1HB   ARG  37          1HB       ARG  37 111.416   2.026  -6.431
  240   2HB   ARG  37          2HB       ARG  37 112.402   1.256  -7.659
  241   1HG   ARG  37          1HG       ARG  37 109.667   0.363  -7.841
  242   2HG   ARG  37          2HG       ARG  37 109.765   2.124  -7.895
  243   1HD   ARG  37          1HD       ARG  37 111.378   1.998  -9.710
  244   2HD   ARG  37          2HD       ARG  37 111.352   0.236  -9.633
  245    HE   ARG  37           HE       ARG  37 108.769   0.826 -10.068
  246   1HH1  ARG  37          1HH1      ARG  37 111.697   1.880 -11.650
  247   2HH1  ARG  37          2HH1      ARG  37 110.934   2.101 -13.187
  248   1HH2  ARG  37          1HH2      ARG  37 107.766   1.116 -12.088
  249   2HH2  ARG  37          2HH2      ARG  37 108.702   1.668 -13.437
  250    H    LEU  38           H        LEU  38 111.052  -1.795  -4.408
  251    HA   LEU  38           HA       LEU  38 108.994  -0.520  -3.048
  252   1HB   LEU  38          1HB       LEU  38 110.748  -2.820  -2.594
  253   2HB   LEU  38          2HB       LEU  38 110.151  -2.076  -1.116
  254    HG   LEU  38           HG       LEU  38 108.418  -3.053  -3.389
  255   1HD1  LEU  38          1HD1      LEU  38 107.755  -4.824  -1.846
  256   2HD1  LEU  38          2HD1      LEU  38 108.922  -4.236  -0.661
  257   3HD1  LEU  38          3HD1      LEU  38 109.482  -4.896  -2.199
  258   1HD2  LEU  38          1HD2      LEU  38 106.566  -2.505  -2.055
  259   2HD2  LEU  38          2HD2      LEU  38 107.620  -1.094  -2.012
  260   3HD2  LEU  38          3HD2      LEU  38 107.573  -2.198  -0.640
  261    H    GLU  39           H        GLU  39 112.470  -0.234  -2.680
  262    HA   GLU  39           HA       GLU  39 112.349   1.235  -0.248
  263   1HB   GLU  39          1HB       GLU  39 114.725   1.689  -0.627
  264   2HB   GLU  39          2HB       GLU  39 114.350  -0.016  -0.812
  265   1HG   GLU  39          1HG       GLU  39 115.809   0.465  -2.551
  266   2HG   GLU  39          2HG       GLU  39 114.216   0.449  -3.304
  267    H    ARG  40           H        ARG  40 110.938   2.131  -2.891
  268    HA   ARG  40           HA       ARG  40 111.883   4.915  -2.759
  269   1HB   ARG  40          1HB       ARG  40 111.749   3.235  -4.966
  270   2HB   ARG  40          2HB       ARG  40 110.324   4.250  -5.118
  271   1HG   ARG  40          1HG       ARG  40 112.382   6.005  -4.458
  272   2HG   ARG  40          2HG       ARG  40 113.096   4.873  -5.608
  273   1HD   ARG  40          1HD       ARG  40 110.411   6.004  -6.212
  274   2HD   ARG  40          2HD       ARG  40 111.820   7.044  -6.409
  275    HE   ARG  40           HE       ARG  40 112.075   4.473  -7.676
  276   1HH1  ARG  40          1HH1      ARG  40 110.948   7.755  -8.047
  277   2HH1  ARG  40          2HH1      ARG  40 111.042   7.723  -9.776
  278   1HH2  ARG  40          1HH2      ARG  40 112.198   4.431  -9.949
  279   2HH2  ARG  40          2HH2      ARG  40 111.752   5.837 -10.856
  280    H    HIS  41           H        HIS  41 109.496   2.824  -1.911
  281    HA   HIS  41           HA       HIS  41 107.309   4.748  -2.177
  282   1HB   HIS  41          1HB       HIS  41 107.490   1.788  -1.729
  283   2HB   HIS  41          2HB       HIS  41 106.039   2.656  -1.258
  284    HD1  HIS  41           HD1      HIS  41 104.922   4.099  -3.321
  285    HD2  HIS  41           HD2      HIS  41 107.509   1.002  -4.313
  286    HE1  HIS  41           HE1      HIS  41 104.443   3.566  -5.731
  287    HE2  HIS  41           HE2      HIS  41 105.964   1.638  -6.286
  288    H    LEU  42           H        LEU  42 109.691   4.059  -0.033
  289    HA   LEU  42           HA       LEU  42 108.161   4.102   2.398
  290   1HB   LEU  42          1HB       LEU  42 111.110   4.213   1.788
  291   2HB   LEU  42          2HB       LEU  42 110.458   4.243   3.421
  292    HG   LEU  42           HG       LEU  42 109.444   2.023   1.813
  293   1HD1  LEU  42          1HD1      LEU  42 111.309   0.927   1.261
  294   2HD1  LEU  42          2HD1      LEU  42 112.181   1.470   2.699
  295   3HD1  LEU  42          3HD1      LEU  42 112.053   2.529   1.285
  296   1HD2  LEU  42          1HD2      LEU  42 110.900   2.026   4.428
  297   2HD2  LEU  42          2HD2      LEU  42 109.747   0.837   3.819
  298   3HD2  LEU  42          3HD2      LEU  42 109.197   2.451   4.270
  299    H    SER  43           H        SER  43 107.964   5.776   3.812
  300    HA   SER  43           HA       SER  43 108.045   8.408   2.741
  301   1HB   SER  43          1HB       SER  43 107.819   7.952   5.688
  302   2HB   SER  43          2HB       SER  43 106.917   9.060   4.648
  303    HG   SER  43           HG       SER  43 105.446   7.549   4.881
  304    H    ALA  44           H        ALA  44 109.188  10.231   3.707
  305    HA   ALA  44           HA       ALA  44 111.924   9.976   3.676
  306   1HB   ALA  44          1HB       ALA  44 110.097  12.043   4.817
  307   2HB   ALA  44          2HB       ALA  44 111.212  12.155   3.454
  308   3HB   ALA  44          3HB       ALA  44 111.834  12.164   5.106
  309    H    GLU  45           H        GLU  45 109.737   9.392   6.307
  310    HA   GLU  45           HA       GLU  45 111.821   9.301   8.311
  311   1HB   GLU  45          1HB       GLU  45 109.334   7.945   9.025
  312   2HB   GLU  45          2HB       GLU  45 110.150   9.277   9.822
  313   1HG   GLU  45          1HG       GLU  45 108.234   9.449   7.514
  314   2HG   GLU  45          2HG       GLU  45 107.950   9.959   9.177
  315    H    ASP  46           H        ASP  46 109.614   6.968   6.809
  316    HA   ASP  46           HA       ASP  46 110.633   4.634   7.883
  317   1HB   ASP  46          1HB       ASP  46 109.555   4.982   5.079
  318   2HB   ASP  46          2HB       ASP  46 109.621   3.478   5.999
  319    H    PHE  47           H        PHE  47 111.636   6.321   4.915
  320    HA   PHE  47           HA       PHE  47 113.550   4.473   4.079
  321   1HB   PHE  47          1HB       PHE  47 112.555   6.586   2.907
  322   2HB   PHE  47          2HB       PHE  47 113.933   7.411   3.640
  323    HD1  PHE  47           HD1      PHE  47 113.206   4.298   1.737
  324    HD2  PHE  47           HD2      PHE  47 115.839   7.571   2.392
  325    HE1  PHE  47           HE1      PHE  47 114.656   3.508  -0.098
  326    HE2  PHE  47           HE2      PHE  47 117.280   6.792   0.558
  327    HZ   PHE  47           HZ       PHE  47 116.684   4.762  -0.692
  328    H    SER  48           H        SER  48 114.290   7.645   5.529
  329    HA   SER  48           HA       SER  48 116.959   7.073   6.097
  330   1HB   SER  48          1HB       SER  48 115.033   9.064   7.304
  331   2HB   SER  48          2HB       SER  48 116.734   8.993   7.764
  332    HG   SER  48           HG       SER  48 117.215   9.284   5.504
  333    H    ARG  49           H        ARG  49 114.123   5.977   7.696
  334    HA   ARG  49           HA       ARG  49 115.423   5.539  10.244
  335   1HB   ARG  49          1HB       ARG  49 113.047   6.091  10.210
  336   2HB   ARG  49          2HB       ARG  49 112.713   4.675   9.222
  337   1HG   ARG  49          1HG       ARG  49 112.097   4.239  11.505
  338   2HG   ARG  49          2HG       ARG  49 113.480   3.236  11.065
  339   1HD   ARG  49          1HD       ARG  49 114.605   5.571  12.067
  340   2HD   ARG  49          2HD       ARG  49 113.232   5.253  13.131
  341    HE   ARG  49           HE       ARG  49 114.449   2.845  12.966
  342   1HH1  ARG  49          1HH1      ARG  49 115.610   6.047  13.726
  343   2HH1  ARG  49          2HH1      ARG  49 116.863   5.478  14.777
  344   1HH2  ARG  49          1HH2      ARG  49 116.096   2.095  14.349
  345   2HH2  ARG  49          2HH2      ARG  49 117.140   3.236  15.131
  346    H    VAL  50           H        VAL  50 114.711   3.753   7.338
  347    HA   VAL  50           HA       VAL  50 115.568   1.245   8.580
  348    HB   VAL  50           HB       VAL  50 114.608   1.639   5.747
  349   1HG1  VAL  50          1HG1      VAL  50 115.933  -0.426   6.422
  350   2HG1  VAL  50          2HG1      VAL  50 114.372  -0.687   5.643
  351   3HG1  VAL  50          3HG1      VAL  50 114.528  -0.870   7.390
  352   1HG2  VAL  50          1HG2      VAL  50 112.797   0.417   7.722
  353   2HG2  VAL  50          2HG2      VAL  50 112.445   1.465   6.348
  354   3HG2  VAL  50          3HG2      VAL  50 113.031   2.160   7.863
  355    H    PHE  51           H        PHE  51 116.406   3.416   5.914
  356    HA   PHE  51           HA       PHE  51 118.819   1.874   5.371
  357   1HB   PHE  51          1HB       PHE  51 117.563   4.209   3.935
  358   2HB   PHE  51          2HB       PHE  51 119.040   3.397   3.429
  359    HD1  PHE  51           HD1      PHE  51 118.568   0.627   3.592
  360    HD2  PHE  51           HD2      PHE  51 115.825   3.698   2.566
  361    HE1  PHE  51           HE1      PHE  51 117.245  -0.992   2.293
  362    HE2  PHE  51           HE2      PHE  51 114.489   2.085   1.262
  363    HZ   PHE  51           HZ       PHE  51 115.208  -0.262   1.127
  364    H    ALA  52           H        ALA  52 117.855   4.941   6.734
  365    HA   ALA  52           HA       ALA  52 119.047   6.371   8.080
  366   1HB   ALA  52          1HB       ALA  52 120.825   4.172   7.897
  367   2HB   ALA  52          2HB       ALA  52 120.737   5.421   9.135
  368   3HB   ALA  52          3HB       ALA  52 121.760   5.656   7.717
  369    H    MET  53           H        MET  53 119.330   5.997   4.808
  370    HA   MET  53           HA       MET  53 120.882   8.496   4.558
  371   1HB   MET  53          1HB       MET  53 121.990   7.727   2.764
  372   2HB   MET  53          2HB       MET  53 121.566   6.149   3.412
  373   1HG   MET  53          1HG       MET  53 119.989   7.632   1.324
  374   2HG   MET  53          2HG       MET  53 121.158   6.354   0.999
  375   1HE   MET  53          1HE       MET  53 120.939   3.950   1.920
  376   2HE   MET  53          2HE       MET  53 120.253   4.196   0.311
  377   3HE   MET  53          3HE       MET  53 119.404   3.193   1.490
  378    H    SER  54           H        SER  54 120.328   9.618   2.426
  379    HA   SER  54           HA       SER  54 117.547  10.337   2.583
  380   1HB   SER  54          1HB       SER  54 119.150  12.106   2.314
  381   2HB   SER  54          2HB       SER  54 119.867  11.307   0.907
  382    HG   SER  54           HG       SER  54 118.455  12.316  -0.261
  383    HA   PRO  55           HA       PRO  55 115.869   7.835  -0.676
  384   1HB   PRO  55          1HB       PRO  55 114.625  10.365  -1.640
  385   2HB   PRO  55          2HB       PRO  55 113.869   8.809  -1.284
  386   1HG   PRO  55          1HG       PRO  55 113.605  10.870   0.389
  387   2HG   PRO  55          2HG       PRO  55 113.794   9.213   0.997
  388   1HD   PRO  55          1HD       PRO  55 115.776  11.442   0.916
  389   2HD   PRO  55          2HD       PRO  55 115.569  10.154   2.125
  390    H    GLU  56           H        GLU  56 117.510  10.841  -1.263
  391    HA   GLU  56           HA       GLU  56 117.947  10.246  -4.073
  392   1HB   GLU  56          1HB       GLU  56 118.509  12.442  -4.313
  393   2HB   GLU  56          2HB       GLU  56 117.597  12.584  -2.814
  394   1HG   GLU  56          1HG       GLU  56 119.956  12.156  -1.728
  395   2HG   GLU  56          2HG       GLU  56 120.523  12.776  -3.281
  396    H    GLU  57           H        GLU  57 119.426   9.639  -1.068
  397    HA   GLU  57           HA       GLU  57 122.129   9.562  -1.976
  398   1HB   GLU  57          1HB       GLU  57 120.704   9.030   0.556
  399   2HB   GLU  57          2HB       GLU  57 122.086   7.982   0.272
  400   1HG   GLU  57          1HG       GLU  57 123.519   9.925  -0.018
  401   2HG   GLU  57          2HG       GLU  57 122.133  10.987   0.229
  402    H    PHE  58           H        PHE  58 119.648   7.089  -1.286
  403    HA   PHE  58           HA       PHE  58 120.965   4.748  -1.805
  404   1HB   PHE  58          1HB       PHE  58 118.380   5.406  -1.441
  405   2HB   PHE  58          2HB       PHE  58 118.335   5.102  -3.174
  406    HD1  PHE  58           HD1      PHE  58 119.298   2.821  -3.959
  407    HD2  PHE  58           HD2      PHE  58 118.120   3.672   0.036
  408    HE1  PHE  58           HE1      PHE  58 119.047   0.412  -3.519
  409    HE2  PHE  58           HE2      PHE  58 117.884   1.267   0.487
  410    HZ   PHE  58           HZ       PHE  58 118.343  -0.372  -1.289
  411    H    GLY  59           H        GLY  59 119.319   6.691  -4.323
  412   1HA   GLY  59          1HA       GLY  59 120.219   5.205  -6.517
  413   2HA   GLY  59          2HA       GLY  59 119.720   6.890  -6.576
  414    H    LYS  60           H        LYS  60 121.842   7.608  -4.601
  415    HA   LYS  60           HA       LYS  60 124.003   7.855  -6.545
  416   1HB   LYS  60          1HB       LYS  60 123.572   9.216  -3.880
  417   2HB   LYS  60          2HB       LYS  60 124.909   9.547  -4.979
  418   1HG   LYS  60          1HG       LYS  60 122.384   9.764  -6.350
  419   2HG   LYS  60          2HG       LYS  60 122.413  10.791  -4.911
  420   1HD   LYS  60          1HD       LYS  60 124.918  11.028  -6.263
  421   2HD   LYS  60          2HD       LYS  60 123.618  11.259  -7.433
  422   1HE   LYS  60          1HE       LYS  60 123.832  13.397  -6.659
  423   2HE   LYS  60          2HE       LYS  60 122.633  12.783  -5.522
  424   1HZ   LYS  60          1HZ       LYS  60 124.688  14.043  -4.642
  425   2HZ   LYS  60          2HZ       LYS  60 125.499  12.578  -4.883
  426   3HZ   LYS  60          3HZ       LYS  60 124.173  12.648  -3.835
  427    H    LEU  61           H        LEU  61 123.230   5.610  -4.324
  428    HA   LEU  61           HA       LEU  61 125.791   5.347  -3.046
  429   1HB   LEU  61          1HB       LEU  61 123.267   3.684  -2.995
  430   2HB   LEU  61          2HB       LEU  61 124.690   3.314  -2.046
  431    HG   LEU  61           HG       LEU  61 122.933   5.728  -1.785
  432   1HD1  LEU  61          1HD1      LEU  61 122.047   4.780   0.028
  433   2HD1  LEU  61          2HD1      LEU  61 123.571   4.047   0.523
  434   3HD1  LEU  61          3HD1      LEU  61 122.587   3.281  -0.726
  435   1HD2  LEU  61          1HD2      LEU  61 125.581   5.121  -0.502
  436   2HD2  LEU  61          2HD2      LEU  61 124.448   6.325   0.112
  437   3HD2  LEU  61          3HD2      LEU  61 125.156   6.518  -1.491
  438    H    ALA  62           H        ALA  62 125.448   2.317  -3.275
  439    HA   ALA  62           HA       ALA  62 126.479   2.017  -6.011
  440   1HB   ALA  62          1HB       ALA  62 127.584   0.492  -3.676
  441   2HB   ALA  62          2HB       ALA  62 128.258   2.026  -4.217
  442   3HB   ALA  62          3HB       ALA  62 128.248   0.635  -5.302
  443    H    LEU  63           H        LEU  63 126.524  -0.294  -6.747
  444    HA   LEU  63           HA       LEU  63 123.932  -1.409  -6.548
  445   1HB   LEU  63          1HB       LEU  63 125.585  -1.566  -8.476
  446   2HB   LEU  63          2HB       LEU  63 126.371  -2.843  -7.565
  447    HG   LEU  63           HG       LEU  63 123.545  -3.366  -7.751
  448   1HD1  LEU  63          1HD1      LEU  63 123.697  -2.015  -9.801
  449   2HD1  LEU  63          2HD1      LEU  63 123.343  -3.711 -10.129
  450   3HD1  LEU  63          3HD1      LEU  63 124.971  -3.083 -10.389
  451   1HD2  LEU  63          1HD2      LEU  63 124.257  -5.492  -8.100
  452   2HD2  LEU  63          2HD2      LEU  63 125.752  -4.823  -7.444
  453   3HD2  LEU  63          3HD2      LEU  63 125.555  -4.998  -9.188
  454    H    TRP  64           H        TRP  64 126.901  -2.025  -4.831
  455    HA   TRP  64           HA       TRP  64 125.960  -4.509  -3.702
  456   1HB   TRP  64          1HB       TRP  64 128.133  -4.291  -2.423
  457   2HB   TRP  64          2HB       TRP  64 128.311  -4.342  -4.182
  458    HD1  TRP  64           HD1      TRP  64 129.386  -2.240  -5.321
  459    HE1  TRP  64           HE1      TRP  64 130.307  -0.013  -4.432
  460    HE3  TRP  64           HE3      TRP  64 127.629  -2.551  -0.658
  461    HZ2  TRP  64           HZ2      TRP  64 130.282   1.415  -1.948
  462    HZ3  TRP  64           HZ3      TRP  64 128.114  -0.719   0.952
  463    HH2  TRP  64           HH2      TRP  64 129.399   1.217   0.305
  464    H    LYS  65           H        LYS  65 126.297  -1.142  -2.979
  465    HA   LYS  65           HA       LYS  65 125.653  -1.316  -0.202
  466   1HB   LYS  65          1HB       LYS  65 126.588   0.676  -1.856
  467   2HB   LYS  65          2HB       LYS  65 124.926   1.184  -1.571
  468   1HG   LYS  65          1HG       LYS  65 126.237   0.348   0.875
  469   2HG   LYS  65          2HG       LYS  65 127.108   1.655   0.063
  470   1HD   LYS  65          1HD       LYS  65 125.180   3.051   0.079
  471   2HD   LYS  65          2HD       LYS  65 124.144   1.720   0.609
  472   1HE   LYS  65          1HE       LYS  65 124.775   3.373   2.396
  473   2HE   LYS  65          2HE       LYS  65 125.150   1.682   2.759
  474   1HZ   LYS  65          1HZ       LYS  65 126.919   3.453   3.228
  475   2HZ   LYS  65          2HZ       LYS  65 127.179   3.459   1.556
  476   3HZ   LYS  65          3HZ       LYS  65 127.406   2.036   2.442
  477    H    ARG  66           H        ARG  66 123.793  -0.076  -2.980
  478    HA   ARG  66           HA       ARG  66 121.305   0.198  -1.895
  479   1HB   ARG  66          1HB       ARG  66 122.062  -0.909  -4.601
  480   2HB   ARG  66          2HB       ARG  66 120.424  -0.451  -4.164
  481   1HG   ARG  66          1HG       ARG  66 121.259   1.840  -3.696
  482   2HG   ARG  66          2HG       ARG  66 122.828   1.334  -4.323
  483   1HD   ARG  66          1HD       ARG  66 120.443   0.840  -6.019
  484   2HD   ARG  66          2HD       ARG  66 120.997   2.513  -5.849
  485    HE   ARG  66           HE       ARG  66 123.264   1.175  -6.460
  486   1HH1  ARG  66          1HH1      ARG  66 120.105   1.294  -7.937
  487   2HH1  ARG  66          2HH1      ARG  66 120.704   1.002  -9.536
  488   1HH2  ARG  66          1HH2      ARG  66 124.055   0.792  -8.561
  489   2HH2  ARG  66          2HH2      ARG  66 122.946   0.716  -9.890
  490    H    ASN  67           H        ASN  67 122.786  -2.733  -3.140
  491    HA   ASN  67           HA       ASN  67 120.643  -4.498  -2.729
  492   1HB   ASN  67          1HB       ASN  67 123.567  -4.742  -3.118
  493   2HB   ASN  67          2HB       ASN  67 122.798  -6.108  -2.312
  494   1HD2  ASN  67          1HD2      ASN  67 122.280  -3.965  -5.096
  495   2HD2  ASN  67          2HD2      ASN  67 121.751  -5.211  -6.171
  496    H    GLU  68           H        GLU  68 123.554  -4.272  -0.702
  497    HA   GLU  68           HA       GLU  68 122.758  -5.696   1.467
  498   1HB   GLU  68          1HB       GLU  68 124.617  -3.416   1.081
  499   2HB   GLU  68          2HB       GLU  68 124.182  -3.817   2.737
  500   1HG   GLU  68          1HG       GLU  68 125.125  -5.947   2.594
  501   2HG   GLU  68          2HG       GLU  68 125.169  -5.906   0.832
  502    H    LEU  69           H        LEU  69 121.964  -2.312   0.767
  503    HA   LEU  69           HA       LEU  69 120.741  -1.725   3.229
  504   1HB   LEU  69          1HB       LEU  69 119.923  -0.612   0.556
  505   2HB   LEU  69          2HB       LEU  69 119.688   0.118   2.130
  506    HG   LEU  69           HG       LEU  69 122.425  -0.433   1.156
  507   1HD1  LEU  69          1HD1      LEU  69 121.568   2.274   0.679
  508   2HD1  LEU  69          2HD1      LEU  69 120.630   1.119  -0.266
  509   3HD1  LEU  69          3HD1      LEU  69 122.389   1.147  -0.401
  510   1HD2  LEU  69          1HD2      LEU  69 121.219   1.596   3.018
  511   2HD2  LEU  69          2HD2      LEU  69 122.922   1.541   2.565
  512   3HD2  LEU  69          3HD2      LEU  69 122.205   0.205   3.466
  513    H    LYS  70           H        LYS  70 119.176  -2.402   0.131
  514    HA   LYS  70           HA       LYS  70 116.597  -2.865   1.123
  515   1HB   LYS  70          1HB       LYS  70 118.080  -3.562  -1.355
  516   2HB   LYS  70          2HB       LYS  70 116.593  -4.447  -1.036
  517   1HG   LYS  70          1HG       LYS  70 115.300  -2.467  -1.063
  518   2HG   LYS  70          2HG       LYS  70 116.741  -1.447  -1.030
  519   1HD   LYS  70          1HD       LYS  70 116.303  -1.337  -3.258
  520   2HD   LYS  70          2HD       LYS  70 117.263  -2.818  -3.257
  521   1HE   LYS  70          1HE       LYS  70 115.269  -3.155  -4.572
  522   2HE   LYS  70          2HE       LYS  70 115.176  -4.130  -3.106
  523   1HZ   LYS  70          1HZ       LYS  70 113.189  -3.201  -2.825
  524   2HZ   LYS  70          2HZ       LYS  70 113.468  -2.010  -3.993
  525   3HZ   LYS  70          3HZ       LYS  70 114.000  -1.776  -2.404
  526    H    LYS  71           H        LYS  71 119.447  -4.777   1.197
  527    HA   LYS  71           HA       LYS  71 118.107  -7.275   1.704
  528   1HB   LYS  71          1HB       LYS  71 120.960  -6.367   1.481
  529   2HB   LYS  71          2HB       LYS  71 120.583  -7.954   2.160
  530   1HG   LYS  71          1HG       LYS  71 119.257  -8.404   0.079
  531   2HG   LYS  71          2HG       LYS  71 119.935  -6.914  -0.581
  532   1HD   LYS  71          1HD       LYS  71 121.596  -8.229  -1.332
  533   2HD   LYS  71          2HD       LYS  71 122.166  -8.214   0.338
  534   1HE   LYS  71          1HE       LYS  71 120.350 -10.276  -0.909
  535   2HE   LYS  71          2HE       LYS  71 122.057 -10.491  -0.524
  536   1HZ   LYS  71          1HZ       LYS  71 120.069  -9.783   1.549
  537   2HZ   LYS  71          2HZ       LYS  71 121.617 -10.433   1.757
  538   3HZ   LYS  71          3HZ       LYS  71 120.376 -11.392   1.123
  539    H    LYS  72           H        LYS  72 119.641  -4.751   3.579
  540    HA   LYS  72           HA       LYS  72 119.359  -6.318   6.019
  541   1HB   LYS  72          1HB       LYS  72 120.636  -4.538   7.111
  542   2HB   LYS  72          2HB       LYS  72 121.494  -5.156   5.708
  543   1HG   LYS  72          1HG       LYS  72 121.792  -2.941   5.355
  544   2HG   LYS  72          2HG       LYS  72 120.242  -3.137   4.529
  545   1HD   LYS  72          1HD       LYS  72 119.354  -2.656   7.010
  546   2HD   LYS  72          2HD       LYS  72 120.882  -1.775   7.077
  547   1HE   LYS  72          1HE       LYS  72 119.263  -1.349   4.653
  548   2HE   LYS  72          2HE       LYS  72 118.569  -0.731   6.151
  549   1HZ   LYS  72          1HZ       LYS  72 121.382  -0.139   5.650
  550   2HZ   LYS  72          2HZ       LYS  72 120.186   0.817   6.369
  551   3HZ   LYS  72          3HZ       LYS  72 120.250   0.668   4.686
  552    H    ALA  73           H        ALA  73 117.829  -3.948   4.175
  553    HA   ALA  73           HA       ALA  73 116.348  -2.705   6.318
  554   1HB   ALA  73          1HB       ALA  73 116.559  -2.398   3.373
  555   2HB   ALA  73          2HB       ALA  73 116.671  -1.180   4.643
  556   3HB   ALA  73          3HB       ALA  73 115.096  -1.815   4.165
  557    H    GLU  74           H        GLU  74 116.185  -5.676   4.992
  558    HA   GLU  74           HA       GLU  74 114.611  -7.309   5.063
  559   1HB   GLU  74          1HB       GLU  74 112.704  -5.236   6.152
  560   2HB   GLU  74          2HB       GLU  74 112.542  -6.980   6.264
  561   1HG   GLU  74          1HG       GLU  74 114.495  -7.088   7.707
  562   2HG   GLU  74          2HG       GLU  74 114.702  -5.342   7.570
  563    H    LEU  75           H        LEU  75 114.844  -5.112   2.901
  564    HA   LEU  75           HA       LEU  75 112.564  -6.081   1.397
  565   1HB   LEU  75          1HB       LEU  75 112.681  -3.458   0.554
  566   2HB   LEU  75          2HB       LEU  75 111.427  -4.186   1.549
  567    HG   LEU  75           HG       LEU  75 113.423  -3.462   3.336
  568   1HD1  LEU  75          1HD1      LEU  75 114.643  -2.055   1.949
  569   2HD1  LEU  75          2HD1      LEU  75 113.527  -0.951   2.757
  570   3HD1  LEU  75          3HD1      LEU  75 113.202  -1.484   1.102
  571   1HD2  LEU  75          1HD2      LEU  75 111.344  -3.112   4.143
  572   2HD2  LEU  75          2HD2      LEU  75 110.717  -2.566   2.587
  573   3HD2  LEU  75          3HD2      LEU  75 111.659  -1.465   3.594
  574    H    PHE  76           H        PHE  76 114.444  -7.322   0.576
  575    HA   PHE  76           HA       PHE  76 115.492  -5.904  -1.783
  576   1HB   PHE  76          1HB       PHE  76 117.478  -6.068  -0.570
  577   2HB   PHE  76          2HB       PHE  76 117.046  -7.626   0.133
  578    HD1  PHE  76           HD1      PHE  76 117.430  -9.678  -1.097
  579    HD2  PHE  76           HD2      PHE  76 118.391  -5.896  -2.795
  580    HE1  PHE  76           HE1      PHE  76 118.746 -10.801  -2.846
  581    HE2  PHE  76           HE2      PHE  76 119.707  -7.012  -4.548
  582    HZ   PHE  76           HZ       PHE  76 119.886  -9.468  -4.575
  Start of MODEL    5
    1    HT1  PRO   9           HT1      PRO   9 102.148  16.126  -6.582
    2    HT2  PRO   9           HT2      PRO   9 103.304  15.741  -7.686
    3    HA   PRO   9           HA       PRO   9 101.086  14.355  -6.806
    4   1HB   PRO   9          1HB       PRO   9 101.306  13.497  -9.490
    5   2HB   PRO   9          2HB       PRO   9  99.908  14.258  -8.720
    6   1HG   PRO   9          1HG       PRO   9 102.067  15.482 -10.356
    7   2HG   PRO   9          2HG       PRO   9 100.358  15.933 -10.226
    8   1HD   PRO   9          1HD       PRO   9 102.240  17.411  -9.055
    9   2HD   PRO   9          2HD       PRO   9 100.693  17.113  -8.239
   10    H    GLY  10           H        GLY  10 101.637  12.138  -6.720
   11   1HA   GLY  10          1HA       GLY  10 104.092  11.173  -7.868
   12   2HA   GLY  10          2HA       GLY  10 104.219  11.460  -6.141
   13    H    LEU  11           H        LEU  11 104.545   9.337  -5.656
   14    HA   LEU  11           HA       LEU  11 102.376   7.474  -6.279
   15   1HB   LEU  11          1HB       LEU  11 103.968   5.737  -5.551
   16   2HB   LEU  11          2HB       LEU  11 104.512   6.658  -6.937
   17    HG   LEU  11           HG       LEU  11 105.600   7.994  -4.744
   18   1HD1  LEU  11          1HD1      LEU  11 104.920   5.795  -3.544
   19   2HD1  LEU  11          2HD1      LEU  11 106.532   6.462  -3.292
   20   3HD1  LEU  11          3HD1      LEU  11 106.301   5.111  -4.402
   21   1HD2  LEU  11          1HD2      LEU  11 106.457   7.292  -7.110
   22   2HD2  LEU  11          2HD2      LEU  11 107.141   5.924  -6.233
   23   3HD2  LEU  11          3HD2      LEU  11 107.599   7.569  -5.793
   24    H    GLN  12           H        GLN  12 101.812   5.904  -4.547
   25    HA   GLN  12           HA       GLN  12 101.128   7.341  -2.159
   26   1HB   GLN  12          1HB       GLN  12 100.302   4.896  -1.527
   27   2HB   GLN  12          2HB       GLN  12  99.403   5.924  -2.630
   28   1HG   GLN  12          1HG       GLN  12 101.451   4.117  -3.786
   29   2HG   GLN  12          2HG       GLN  12  99.961   3.399  -3.179
   30   1HE2  GLN  12          1HE2      GLN  12 101.349   4.331  -5.895
   31   2HE2  GLN  12          2HE2      GLN  12  99.983   4.872  -6.803
   32    H    ILE  13           H        ILE  13 102.038   7.267  -0.206
   33    HA   ILE  13           HA       ILE  13 104.386   5.532   0.135
   34    HB   ILE  13           HB       ILE  13 103.789   7.994   1.755
   35   1HG1  ILE  13          1HG1      ILE  13 103.955   8.417  -0.772
   36   2HG1  ILE  13          2HG1      ILE  13 105.037   9.334   0.272
   37   1HG2  ILE  13          1HG2      ILE  13 105.398   6.460   2.714
   38   2HG2  ILE  13          2HG2      ILE  13 106.210   7.927   2.166
   39   3HG2  ILE  13          3HG2      ILE  13 106.318   6.450   1.207
   40   1HD1  ILE  13          1HD1      ILE  13 106.228   8.574  -1.669
   41   2HD1  ILE  13          2HD1      ILE  13 105.746   6.906  -1.355
   42   3HD1  ILE  13          3HD1      ILE  13 106.837   7.734  -0.241
   43    H    TYR  14           H        TYR  14 103.988   3.800   1.351
   44    HA   TYR  14           HA       TYR  14 102.058   4.035   3.565
   45   1HB   TYR  14          1HB       TYR  14 102.983   1.512   2.176
   46   2HB   TYR  14          2HB       TYR  14 101.685   1.651   3.361
   47    HD1  TYR  14           HD1      TYR  14 102.595   1.930  -0.123
   48    HD2  TYR  14           HD2      TYR  14  99.587   2.865   2.738
   49    HE1  TYR  14           HE1      TYR  14 100.980   2.282  -1.943
   50    HE2  TYR  14           HE2      TYR  14  97.965   3.219   0.926
   51    HH   TYR  14           HH       TYR  14  98.417   3.906  -1.840
   52    HA   PRO  15           HA       PRO  15 104.930   3.174   6.794
   53   1HB   PRO  15          1HB       PRO  15 103.622   0.525   7.234
   54   2HB   PRO  15          2HB       PRO  15 103.982   1.811   8.397
   55   1HG   PRO  15          1HG       PRO  15 101.499   1.451   7.524
   56   2HG   PRO  15          2HG       PRO  15 102.149   3.085   7.754
   57   1HD   PRO  15          1HD       PRO  15 101.706   1.556   5.230
   58   2HD   PRO  15          2HD       PRO  15 101.519   3.296   5.545
   59    H    TYR  16           H        TYR  16 106.603   1.560   7.557
   60    HA   TYR  16           HA       TYR  16 107.858   0.392   5.240
   61   1HB   TYR  16          1HB       TYR  16 109.346   1.588   6.585
   62   2HB   TYR  16          2HB       TYR  16 108.678   0.931   8.075
   63    HD1  TYR  16           HD1      TYR  16 109.629  -0.908   9.086
   64    HD2  TYR  16           HD2      TYR  16 110.673   0.020   5.079
   65    HE1  TYR  16           HE1      TYR  16 111.416  -2.604   9.170
   66    HE2  TYR  16           HE2      TYR  16 112.463  -1.669   5.126
   67    HH   TYR  16           HH       TYR  16 113.781  -2.846   7.737
   68    H    GLU  17           H        GLU  17 107.055  -0.805   8.514
   69    HA   GLU  17           HA       GLU  17 107.603  -3.491   8.128
   70   1HB   GLU  17          1HB       GLU  17 106.752  -2.126  10.230
   71   2HB   GLU  17          2HB       GLU  17 105.185  -2.738   9.719
   72   1HG   GLU  17          1HG       GLU  17 106.708  -4.993   9.638
   73   2HG   GLU  17          2HG       GLU  17 107.424  -4.117  10.994
   74    H    MET  18           H        MET  18 104.919  -1.627   6.939
   75    HA   MET  18           HA       MET  18 103.403  -3.988   6.178
   76   1HB   MET  18          1HB       MET  18 102.943  -1.026   5.911
   77   2HB   MET  18          2HB       MET  18 101.938  -2.184   5.050
   78   1HG   MET  18          1HG       MET  18 102.337  -2.345   8.015
   79   2HG   MET  18          2HG       MET  18 101.105  -1.306   7.294
   80   1HE   MET  18          1HE       MET  18  98.404  -2.643   7.005
   81   2HE   MET  18          2HE       MET  18  98.746  -3.529   5.519
   82   3HE   MET  18          3HE       MET  18  99.455  -1.935   5.778
   83    H    LEU  19           H        LEU  19 105.698  -1.788   4.847
   84    HA   LEU  19           HA       LEU  19 105.179  -2.620   2.104
   85   1HB   LEU  19          1HB       LEU  19 106.933  -0.549   3.378
   86   2HB   LEU  19          2HB       LEU  19 107.127  -0.988   1.690
   87    HG   LEU  19           HG       LEU  19 104.590   0.099   2.910
   88   1HD1  LEU  19          1HD1      LEU  19 106.489   1.716   2.841
   89   2HD1  LEU  19          2HD1      LEU  19 105.109   2.173   1.843
   90   3HD1  LEU  19          3HD1      LEU  19 106.551   1.487   1.093
   91   1HD2  LEU  19          1HD2      LEU  19 103.836  -1.046   1.099
   92   2HD2  LEU  19          2HD2      LEU  19 105.365  -0.903   0.235
   93   3HD2  LEU  19          3HD2      LEU  19 104.270   0.478   0.323
   94    H    VAL  20           H        VAL  20 106.801  -3.946   4.613
   95    HA   VAL  20           HA       VAL  20 109.354  -4.504   3.555
   96    HB   VAL  20           HB       VAL  20 107.864  -6.321   5.445
   97   1HG1  VAL  20          1HG1      VAL  20 110.305  -6.300   6.392
   98   2HG1  VAL  20          2HG1      VAL  20 110.709  -5.822   4.743
   99   3HG1  VAL  20          3HG1      VAL  20 109.875  -7.349   5.039
  100   1HG2  VAL  20          1HG2      VAL  20 108.789  -4.915   7.256
  101   2HG2  VAL  20          2HG2      VAL  20 107.574  -4.101   6.280
  102   3HG2  VAL  20          3HG2      VAL  20 109.278  -3.736   6.041
  103    H    VAL  21           H        VAL  21 110.078  -6.800   2.941
  104    HA   VAL  21           HA       VAL  21 108.194  -7.724   0.896
  105    HB   VAL  21           HB       VAL  21 111.132  -8.336   1.140
  106   1HG1  VAL  21          1HG1      VAL  21 109.016  -9.081  -0.757
  107   2HG1  VAL  21          2HG1      VAL  21 110.543  -9.881  -0.380
  108   3HG1  VAL  21          3HG1      VAL  21 110.516  -8.508  -1.489
  109   1HG2  VAL  21          1HG2      VAL  21 110.734  -5.921   0.943
  110   2HG2  VAL  21          2HG2      VAL  21 109.769  -6.212  -0.507
  111   3HG2  VAL  21          3HG2      VAL  21 111.492  -6.584  -0.509
  112    H    THR  22           H        THR  22 110.732  -9.426   2.773
  113    HA   THR  22           HA       THR  22 108.949 -11.761   2.808
  114    HB   THR  22           HB       THR  22 111.944 -11.512   3.016
  115    HG1  THR  22           HG1      THR  22 111.432 -11.577   0.935
  116   1HG2  THR  22          1HG2      THR  22 112.035 -13.966   3.058
  117   2HG2  THR  22          2HG2      THR  22 110.290 -14.010   3.306
  118   3HG2  THR  22          3HG2      THR  22 111.336 -13.290   4.530
  119    H    ASN  23           H        ASN  23 111.250 -10.073   4.897
  120    HA   ASN  23           HA       ASN  23 111.082 -11.413   7.220
  121   1HB   ASN  23          1HB       ASN  23 111.083  -8.414   6.874
  122   2HB   ASN  23          2HB       ASN  23 111.466  -9.249   8.382
  123   1HD2  ASN  23          1HD2      ASN  23 112.484  -8.672   5.080
  124   2HD2  ASN  23          2HD2      ASN  23 114.131  -9.150   5.308
  125    H    LYS  24           H        LYS  24 108.473  -9.547   5.846
  126    HA   LYS  24           HA       LYS  24 106.911  -9.984   8.303
  127   1HB   LYS  24          1HB       LYS  24 107.057  -7.763   6.399
  128   2HB   LYS  24          2HB       LYS  24 105.411  -8.243   6.798
  129   1HG   LYS  24          1HG       LYS  24 106.438  -6.419   8.214
  130   2HG   LYS  24          2HG       LYS  24 105.710  -7.773   9.079
  131   1HD   LYS  24          1HD       LYS  24 107.806  -7.214  10.123
  132   2HD   LYS  24          2HD       LYS  24 107.975  -8.771   9.312
  133   1HE   LYS  24          1HE       LYS  24 109.750  -7.958   8.256
  134   2HE   LYS  24          2HE       LYS  24 108.680  -6.846   7.407
  135   1HZ   LYS  24          1HZ       LYS  24 110.248  -6.362   9.867
  136   2HZ   LYS  24          2HZ       LYS  24 108.949  -5.370   9.436
  137   3HZ   LYS  24          3HZ       LYS  24 110.286  -5.504   8.409
  138    H    GLY  25           H        GLY  25 107.388 -11.948   6.140
  139   1HA   GLY  25          1HA       GLY  25 105.722 -13.691   5.767
  140   2HA   GLY  25          2HA       GLY  25 104.552 -12.421   5.456
  141    H    ARG  26           H        ARG  26 104.443 -11.471   3.455
  142    HA   ARG  26           HA       ARG  26 106.323 -12.383   1.413
  143   1HB   ARG  26          1HB       ARG  26 103.381 -12.341   0.813
  144   2HB   ARG  26          2HB       ARG  26 104.673 -13.167  -0.032
  145   1HG   ARG  26          1HG       ARG  26 103.835 -14.980   0.979
  146   2HG   ARG  26          2HG       ARG  26 104.809 -14.421   2.339
  147   1HD   ARG  26          1HD       ARG  26 102.937 -13.408   3.379
  148   2HD   ARG  26          2HD       ARG  26 101.949 -13.582   1.930
  149    HE   ARG  26           HE       ARG  26 102.404 -15.554   3.957
  150   1HH1  ARG  26          1HH1      ARG  26 101.653 -15.085   0.581
  151   2HH1  ARG  26          2HH1      ARG  26 100.862 -16.616   0.415
  152   1HH2  ARG  26          1HH2      ARG  26 101.366 -17.570   3.741
  153   2HH2  ARG  26          2HH2      ARG  26 100.699 -18.027   2.209
  154    H    THR  27           H        THR  27 104.800 -11.160  -0.738
  155    HA   THR  27           HA       THR  27 105.727  -8.530  -0.422
  156    HB   THR  27           HB       THR  27 105.415  -9.705  -2.623
  157    HG1  THR  27           HG1      THR  27 105.716  -7.720  -3.180
  158   1HG2  THR  27          1HG2      THR  27 103.075 -10.476  -2.230
  159   2HG2  THR  27          2HG2      THR  27 103.347  -9.658  -3.769
  160   3HG2  THR  27          3HG2      THR  27 102.559  -8.803  -2.443
  161    H    LYS  28           H        LYS  28 102.328  -9.636  -0.654
  162    HA   LYS  28           HA       LYS  28 100.393  -8.574  -0.021
  163   1HB   LYS  28          1HB       LYS  28 102.118  -8.362   2.438
  164   2HB   LYS  28          2HB       LYS  28 100.357  -8.259   2.417
  165   1HG   LYS  28          1HG       LYS  28 100.287 -10.449   2.698
  166   2HG   LYS  28          2HG       LYS  28 101.015 -10.636   1.098
  167   1HD   LYS  28          1HD       LYS  28 102.559 -11.740   2.365
  168   2HD   LYS  28          2HD       LYS  28 103.230 -10.110   2.421
  169   1HE   LYS  28          1HE       LYS  28 101.247 -10.819   4.505
  170   2HE   LYS  28          2HE       LYS  28 102.820 -11.608   4.609
  171   1HZ   LYS  28          1HZ       LYS  28 103.322  -9.744   5.743
  172   2HZ   LYS  28          2HZ       LYS  28 102.116  -8.816   5.006
  173   3HZ   LYS  28          3HZ       LYS  28 103.574  -9.101   4.198
  174    H    LEU  29           H        LEU  29 102.476  -6.717  -1.153
  175    HA   LEU  29           HA       LEU  29 102.610  -4.332   0.231
  176   1HB   LEU  29          1HB       LEU  29 102.928  -5.220  -2.547
  177   2HB   LEU  29          2HB       LEU  29 102.627  -3.513  -2.341
  178    HG   LEU  29           HG       LEU  29 104.947  -3.765  -2.454
  179   1HD1  LEU  29          1HD1      LEU  29 104.240  -2.237  -0.699
  180   2HD1  LEU  29          2HD1      LEU  29 105.736  -3.051  -0.246
  181   3HD1  LEU  29          3HD1      LEU  29 104.211  -3.561   0.463
  182   1HD2  LEU  29          1HD2      LEU  29 105.872  -5.722  -2.034
  183   2HD2  LEU  29          2HD2      LEU  29 104.425  -6.265  -1.187
  184   3HD2  LEU  29          3HD2      LEU  29 105.687  -5.403  -0.309
  185    HA   PRO  30           HA       PRO  30  98.587  -2.495   0.084
  186   1HB   PRO  30          1HB       PRO  30 100.053   0.041  -0.391
  187   2HB   PRO  30          2HB       PRO  30  98.911  -0.372   0.894
  188   1HG   PRO  30          1HG       PRO  30 101.544  -0.170   1.366
  189   2HG   PRO  30          2HG       PRO  30 100.533  -1.369   2.198
  190   1HD   PRO  30          1HD       PRO  30 102.464  -1.746  -0.047
  191   2HD   PRO  30          2HD       PRO  30 102.084  -2.821   1.310
  192    HA   PRO  31           HA       PRO  31  97.602  -1.479  -4.116
  193   1HB   PRO  31          1HB       PRO  31  96.667   1.257  -3.660
  194   2HB   PRO  31          2HB       PRO  31  95.739  -0.187  -4.082
  195   1HG   PRO  31          1HG       PRO  31  95.580   0.982  -1.649
  196   2HG   PRO  31          2HG       PRO  31  95.392  -0.766  -1.883
  197   1HD   PRO  31          1HD       PRO  31  97.777   0.773  -0.922
  198   2HD   PRO  31          2HD       PRO  31  97.116  -0.767  -0.329
  199    H    GLY  32           H        GLY  32  99.406  -1.313  -5.374
  200   1HA   GLY  32          1HA       GLY  32 100.576  -0.005  -6.964
  201   2HA   GLY  32          2HA       GLY  32 100.346   1.401  -5.942
  202    H    VAL  33           H        VAL  33 101.733  -1.781  -5.107
  203    HA   VAL  33           HA       VAL  33 104.353  -0.518  -4.820
  204    HB   VAL  33           HB       VAL  33 104.006  -2.335  -2.655
  205   1HG1  VAL  33          1HG1      VAL  33 105.380  -0.906  -1.665
  206   2HG1  VAL  33          2HG1      VAL  33 104.358   0.482  -2.038
  207   3HG1  VAL  33          3HG1      VAL  33 105.478  -0.144  -3.246
  208   1HG2  VAL  33          1HG2      VAL  33 102.547  -0.376  -1.472
  209   2HG2  VAL  33          2HG2      VAL  33 101.902  -1.916  -2.030
  210   3HG2  VAL  33          3HG2      VAL  33 101.780  -0.486  -3.052
  211    H    ASP  34           H        ASP  34 105.960  -1.687  -5.544
  212    HA   ASP  34           HA       ASP  34 105.686  -4.598  -5.699
  213   1HB   ASP  34          1HB       ASP  34 105.190  -3.173  -7.916
  214   2HB   ASP  34          2HB       ASP  34 106.949  -3.251  -8.032
  215    H    ARG  35           H        ARG  35 107.639  -5.729  -5.637
  216    HA   ARG  35           HA       ARG  35 109.676  -4.664  -4.088
  217   1HB   ARG  35          1HB       ARG  35 109.312  -7.112  -5.706
  218   2HB   ARG  35          2HB       ARG  35 110.974  -6.686  -5.325
  219   1HG   ARG  35          1HG       ARG  35 110.219  -8.175  -3.644
  220   2HG   ARG  35          2HG       ARG  35 110.308  -6.566  -2.918
  221   1HD   ARG  35          1HD       ARG  35 108.216  -6.892  -2.230
  222   2HD   ARG  35          2HD       ARG  35 107.725  -6.709  -3.912
  223    HE   ARG  35           HE       ARG  35 107.945  -9.187  -2.406
  224   1HH1  ARG  35          1HH1      ARG  35 107.459  -7.670  -5.515
  225   2HH1  ARG  35          2HH1      ARG  35 106.759  -9.081  -6.230
  226   1HH2  ARG  35          1HH2      ARG  35 107.027 -11.038  -3.351
  227   2HH2  ARG  35          2HH2      ARG  35 106.513 -10.991  -5.004
  228    H    MET  36           H        MET  36 109.154  -4.343  -7.477
  229    HA   MET  36           HA       MET  36 111.676  -4.043  -8.526
  230   1HB   MET  36          1HB       MET  36 109.115  -3.604  -9.420
  231   2HB   MET  36          2HB       MET  36 109.804  -1.987  -9.452
  232   1HG   MET  36          1HG       MET  36 111.798  -3.339 -10.623
  233   2HG   MET  36          2HG       MET  36 110.430  -4.352 -11.095
  234   1HE   MET  36          1HE       MET  36 110.232  -3.389 -14.139
  235   2HE   MET  36          2HE       MET  36 108.629  -2.862 -13.628
  236   3HE   MET  36          3HE       MET  36 109.393  -4.248 -12.848
  237    H    ARG  37           H        ARG  37 109.784  -1.638  -6.732
  238    HA   ARG  37           HA       ARG  37 112.253  -0.191  -6.165
  239   1HB   ARG  37          1HB       ARG  37 110.814   1.976  -6.594
  240   2HB   ARG  37          2HB       ARG  37 111.700   1.205  -7.897
  241   1HG   ARG  37          1HG       ARG  37 108.960   0.225  -7.509
  242   2HG   ARG  37          2HG       ARG  37 109.095   1.910  -8.015
  243   1HD   ARG  37          1HD       ARG  37 110.802  -0.014  -9.459
  244   2HD   ARG  37          2HD       ARG  37 109.068  -0.176  -9.720
  245    HE   ARG  37           HE       ARG  37 109.027   1.968 -10.678
  246   1HH1  ARG  37          1HH1      ARG  37 112.260   1.016  -9.743
  247   2HH1  ARG  37          2HH1      ARG  37 113.024   2.232 -10.709
  248   1HH2  ARG  37          1HH2      ARG  37 110.039   3.559 -11.943
  249   2HH2  ARG  37          2HH2      ARG  37 111.768   3.673 -11.954
  250    H    LEU  38           H        LEU  38 110.851  -1.791  -4.419
  251    HA   LEU  38           HA       LEU  38 108.882  -0.513  -2.917
  252   1HB   LEU  38          1HB       LEU  38 110.739  -2.772  -2.498
  253   2HB   LEU  38          2HB       LEU  38 110.070  -2.041  -1.044
  254    HG   LEU  38           HG       LEU  38 108.433  -3.120  -3.342
  255   1HD1  LEU  38          1HD1      LEU  38 107.867  -4.950  -1.872
  256   2HD1  LEU  38          2HD1      LEU  38 108.884  -4.278  -0.597
  257   3HD1  LEU  38          3HD1      LEU  38 109.616  -4.879  -2.084
  258   1HD2  LEU  38          1HD2      LEU  38 107.482  -1.216  -2.001
  259   2HD2  LEU  38          2HD2      LEU  38 107.511  -2.294  -0.607
  260   3HD2  LEU  38          3HD2      LEU  38 106.531  -2.698  -2.015
  261    H    GLU  39           H        GLU  39 112.341  -0.128  -2.928
  262    HA   GLU  39           HA       GLU  39 112.422   1.348  -0.478
  263   1HB   GLU  39          1HB       GLU  39 114.751   1.737  -0.974
  264   2HB   GLU  39          2HB       GLU  39 114.365   0.051  -1.272
  265   1HG   GLU  39          1HG       GLU  39 115.695   0.633  -3.058
  266   2HG   GLU  39          2HG       GLU  39 114.064   0.758  -3.711
  267    H    ARG  40           H        ARG  40 110.795   2.154  -3.012
  268    HA   ARG  40           HA       ARG  40 111.707   4.953  -3.060
  269   1HB   ARG  40          1HB       ARG  40 111.565   3.290  -5.194
  270   2HB   ARG  40          2HB       ARG  40 109.954   3.988  -5.228
  271   1HG   ARG  40          1HG       ARG  40 112.084   5.953  -4.859
  272   2HG   ARG  40          2HG       ARG  40 112.174   5.070  -6.385
  273   1HD   ARG  40          1HD       ARG  40 110.712   6.604  -7.120
  274   2HD   ARG  40          2HD       ARG  40 109.517   5.649  -6.243
  275    HE   ARG  40           HE       ARG  40 109.315   7.356  -4.737
  276   1HH1  ARG  40          1HH1      ARG  40 112.256   7.816  -6.559
  277   2HH1  ARG  40          2HH1      ARG  40 112.569   9.386  -5.896
  278   1HH2  ARG  40          1HH2      ARG  40 109.724   9.420  -3.865
  279   2HH2  ARG  40          2HH2      ARG  40 111.132  10.296  -4.366
  280    H    HIS  41           H        HIS  41 109.263   2.743  -2.293
  281    HA   HIS  41           HA       HIS  41 107.098   4.670  -2.323
  282   1HB   HIS  41          1HB       HIS  41 107.352   1.730  -1.768
  283   2HB   HIS  41          2HB       HIS  41 105.904   2.604  -1.300
  284    HD1  HIS  41           HD1      HIS  41 104.621   3.834  -3.352
  285    HD2  HIS  41           HD2      HIS  41 107.403   0.917  -4.357
  286    HE1  HIS  41           HE1      HIS  41 104.117   3.212  -5.737
  287    HE2  HIS  41           HE2      HIS  41 105.876   1.520  -6.354
  288    H    LEU  42           H        LEU  42 109.624   4.088  -0.323
  289    HA   LEU  42           HA       LEU  42 108.251   4.193   2.200
  290   1HB   LEU  42          1HB       LEU  42 111.149   4.302   1.385
  291   2HB   LEU  42          2HB       LEU  42 110.618   4.429   3.058
  292    HG   LEU  42           HG       LEU  42 109.544   2.104   1.621
  293   1HD1  LEU  42          1HD1      LEU  42 112.277   1.583   2.490
  294   2HD1  LEU  42          2HD1      LEU  42 112.166   2.622   1.063
  295   3HD1  LEU  42          3HD1      LEU  42 111.406   1.029   1.056
  296   1HD2  LEU  42          1HD2      LEU  42 111.068   2.223   4.188
  297   2HD2  LEU  42          2HD2      LEU  42 109.828   1.071   3.686
  298   3HD2  LEU  42          3HD2      LEU  42 109.385   2.734   4.070
  299    H    SER  43           H        SER  43 108.063   5.930   3.523
  300    HA   SER  43           HA       SER  43 108.107   8.513   2.326
  301   1HB   SER  43          1HB       SER  43 107.201   9.316   4.387
  302   2HB   SER  43          2HB       SER  43 106.488   7.723   4.109
  303    HG   SER  43           HG       SER  43 108.252   8.566   6.065
  304    H    ALA  44           H        ALA  44 109.234  10.388   3.252
  305    HA   ALA  44           HA       ALA  44 111.970  10.156   3.168
  306   1HB   ALA  44          1HB       ALA  44 110.320  12.246   4.584
  307   2HB   ALA  44          2HB       ALA  44 110.910  12.297   2.922
  308   3HB   ALA  44          3HB       ALA  44 112.049  12.387   4.265
  309    H    GLU  45           H        GLU  45 109.854   9.745   5.919
  310    HA   GLU  45           HA       GLU  45 112.018   9.655   7.829
  311   1HB   GLU  45          1HB       GLU  45 109.514   8.374   8.655
  312   2HB   GLU  45          2HB       GLU  45 110.417   9.667   9.421
  313   1HG   GLU  45          1HG       GLU  45 109.381  11.018   7.357
  314   2HG   GLU  45          2HG       GLU  45 108.144   9.779   7.557
  315    H    ASP  46           H        ASP  46 109.743   7.333   6.433
  316    HA   ASP  46           HA       ASP  46 110.732   5.013   7.561
  317   1HB   ASP  46          1HB       ASP  46 109.593   5.307   4.774
  318   2HB   ASP  46          2HB       ASP  46 109.665   3.821   5.723
  319    H    PHE  47           H        PHE  47 111.649   6.507   4.453
  320    HA   PHE  47           HA       PHE  47 113.533   4.630   3.666
  321   1HB   PHE  47          1HB       PHE  47 112.553   6.670   2.406
  322   2HB   PHE  47          2HB       PHE  47 113.895   7.561   3.127
  323    HD1  PHE  47           HD1      PHE  47 113.226   4.426   1.259
  324    HD2  PHE  47           HD2      PHE  47 115.874   7.670   1.983
  325    HE1  PHE  47           HE1      PHE  47 114.733   3.603  -0.523
  326    HE2  PHE  47           HE2      PHE  47 117.375   6.859   0.209
  327    HZ   PHE  47           HZ       PHE  47 116.802   4.826  -1.048
  328    H    SER  48           H        SER  48 114.294   7.819   5.066
  329    HA   SER  48           HA       SER  48 116.989   7.244   5.571
  330   1HB   SER  48          1HB       SER  48 116.045   9.532   5.467
  331   2HB   SER  48          2HB       SER  48 115.228   9.250   7.004
  332    HG   SER  48           HG       SER  48 117.258   9.008   7.976
  333    H    ARG  49           H        ARG  49 114.231   6.086   7.191
  334    HA   ARG  49           HA       ARG  49 115.569   5.785   9.753
  335   1HB   ARG  49          1HB       ARG  49 113.190   6.338   9.745
  336   2HB   ARG  49          2HB       ARG  49 112.837   4.879   8.830
  337   1HG   ARG  49          1HG       ARG  49 112.295   4.213  10.950
  338   2HG   ARG  49          2HG       ARG  49 113.976   3.685  10.857
  339   1HD   ARG  49          1HD       ARG  49 113.962   4.758  12.890
  340   2HD   ARG  49          2HD       ARG  49 114.466   6.069  11.817
  341    HE   ARG  49           HE       ARG  49 112.491   7.144  12.255
  342   1HH1  ARG  49          1HH1      ARG  49 112.249   3.840  13.353
  343   2HH1  ARG  49          2HH1      ARG  49 110.738   4.087  14.160
  344   1HH2  ARG  49          1HH2      ARG  49 110.502   7.471  13.315
  345   2HH2  ARG  49          2HH2      ARG  49 109.745   6.149  14.138
  346    H    VAL  50           H        VAL  50 114.482   3.778   7.053
  347    HA   VAL  50           HA       VAL  50 115.475   1.360   8.321
  348    HB   VAL  50           HB       VAL  50 114.490   1.598   5.484
  349   1HG1  VAL  50          1HG1      VAL  50 114.153  -0.710   5.572
  350   2HG1  VAL  50          2HG1      VAL  50 114.263  -0.752   7.331
  351   3HG1  VAL  50          3HG1      VAL  50 115.710  -0.461   6.364
  352   1HG2  VAL  50          1HG2      VAL  50 112.655   0.700   7.636
  353   2HG2  VAL  50          2HG2      VAL  50 112.301   1.467   6.087
  354   3HG2  VAL  50          3HG2      VAL  50 112.909   2.432   7.434
  355    H    PHE  51           H        PHE  51 116.410   3.611   5.812
  356    HA   PHE  51           HA       PHE  51 118.720   1.941   5.129
  357   1HB   PHE  51          1HB       PHE  51 117.462   4.302   3.737
  358   2HB   PHE  51          2HB       PHE  51 118.948   3.522   3.203
  359    HD1  PHE  51           HD1      PHE  51 115.899   3.837   2.123
  360    HD2  PHE  51           HD2      PHE  51 118.338   0.690   3.591
  361    HE1  PHE  51           HE1      PHE  51 114.570   2.211   0.822
  362    HE2  PHE  51           HE2      PHE  51 117.027  -0.938   2.295
  363    HZ   PHE  51           HZ       PHE  51 115.141  -0.177   0.911
  364    H    ALA  52           H        ALA  52 117.889   5.195   6.233
  365    HA   ALA  52           HA       ALA  52 119.123   6.534   7.663
  366   1HB   ALA  52          1HB       ALA  52 121.650   5.103   6.941
  367   2HB   ALA  52          2HB       ALA  52 120.532   4.459   8.143
  368   3HB   ALA  52          3HB       ALA  52 121.277   6.039   8.389
  369    H    MET  53           H        MET  53 119.360   6.136   4.366
  370    HA   MET  53           HA       MET  53 120.936   8.628   4.136
  371   1HB   MET  53          1HB       MET  53 122.103   7.859   2.377
  372   2HB   MET  53          2HB       MET  53 121.681   6.279   3.032
  373   1HG   MET  53          1HG       MET  53 120.157   7.726   0.881
  374   2HG   MET  53          2HG       MET  53 121.326   6.433   0.614
  375   1HE   MET  53          1HE       MET  53 119.716   3.299   1.635
  376   2HE   MET  53          2HE       MET  53 121.205   4.234   1.702
  377   3HE   MET  53          3HE       MET  53 120.370   4.022   0.164
  378    H    SER  54           H        SER  54 120.444   9.738   1.990
  379    HA   SER  54           HA       SER  54 117.667  10.457   2.043
  380   1HB   SER  54          1HB       SER  54 120.107  11.389   0.552
  381   2HB   SER  54          2HB       SER  54 118.499  11.956   0.078
  382    HG   SER  54           HG       SER  54 118.441  13.187   1.787
  383    HA   PRO  55           HA       PRO  55 116.052   7.854  -1.171
  384   1HB   PRO  55          1HB       PRO  55 114.838  10.346  -2.256
  385   2HB   PRO  55          2HB       PRO  55 114.068   8.809  -1.852
  386   1HG   PRO  55          1HG       PRO  55 113.783  10.946  -0.276
  387   2HG   PRO  55          2HG       PRO  55 113.937   9.314   0.404
  388   1HD   PRO  55          1HD       PRO  55 115.943  11.518   0.288
  389   2HD   PRO  55          2HD       PRO  55 115.693  10.278   1.537
  390    H    GLU  56           H        GLU  56 117.730  10.821  -1.800
  391    HA   GLU  56           HA       GLU  56 118.251  10.135  -4.577
  392   1HB   GLU  56          1HB       GLU  56 117.888  12.408  -4.461
  393   2HB   GLU  56          2HB       GLU  56 118.607  12.550  -2.861
  394   1HG   GLU  56          1HG       GLU  56 119.969  13.696  -4.471
  395   2HG   GLU  56          2HG       GLU  56 120.838  12.284  -3.862
  396    H    GLU  57           H        GLU  57 119.599   9.499  -1.548
  397    HA   GLU  57           HA       GLU  57 122.346   9.487  -2.411
  398   1HB   GLU  57          1HB       GLU  57 120.905   9.115   0.141
  399   2HB   GLU  57          2HB       GLU  57 122.300   8.064  -0.060
  400   1HG   GLU  57          1HG       GLU  57 122.760  10.868  -0.769
  401   2HG   GLU  57          2HG       GLU  57 122.389  10.573   0.929
  402    H    PHE  58           H        PHE  58 119.845   7.085  -1.600
  403    HA   PHE  58           HA       PHE  58 121.150   4.704  -1.933
  404   1HB   PHE  58          1HB       PHE  58 118.584   5.398  -1.601
  405   2HB   PHE  58          2HB       PHE  58 118.520   5.023  -3.321
  406    HD1  PHE  58           HD1      PHE  58 118.204   3.739  -0.087
  407    HD2  PHE  58           HD2      PHE  58 119.557   2.699  -3.980
  408    HE1  PHE  58           HE1      PHE  58 117.932   1.355   0.463
  409    HE2  PHE  58           HE2      PHE  58 119.287   0.313  -3.440
  410    HZ   PHE  58           HZ       PHE  58 118.474  -0.365  -1.213
  411    H    GLY  59           H        GLY  59 119.582   6.540  -4.574
  412   1HA   GLY  59          1HA       GLY  59 120.446   4.874  -6.660
  413   2HA   GLY  59          2HA       GLY  59 119.966   6.554  -6.838
  414    H    LYS  60           H        LYS  60 122.148   7.291  -4.863
  415    HA   LYS  60           HA       LYS  60 124.306   7.331  -6.846
  416   1HB   LYS  60          1HB       LYS  60 123.666   9.096  -4.490
  417   2HB   LYS  60          2HB       LYS  60 125.218   9.165  -5.320
  418   1HG   LYS  60          1HG       LYS  60 123.202   9.296  -7.297
  419   2HG   LYS  60          2HG       LYS  60 122.758  10.421  -6.008
  420   1HD   LYS  60          1HD       LYS  60 124.578  11.752  -6.360
  421   2HD   LYS  60          2HD       LYS  60 125.585  10.415  -6.918
  422   1HE   LYS  60          1HE       LYS  60 124.802  10.544  -9.072
  423   2HE   LYS  60          2HE       LYS  60 123.263  11.252  -8.583
  424   1HZ   LYS  60          1HZ       LYS  60 125.793  12.545  -9.179
  425   2HZ   LYS  60          2HZ       LYS  60 124.943  13.180  -7.862
  426   3HZ   LYS  60          3HZ       LYS  60 124.211  13.111  -9.384
  427    H    LEU  61           H        LEU  61 123.500   5.367  -4.420
  428    HA   LEU  61           HA       LEU  61 125.963   5.304  -2.960
  429   1HB   LEU  61          1HB       LEU  61 123.538   3.499  -3.012
  430   2HB   LEU  61          2HB       LEU  61 124.887   3.280  -1.919
  431    HG   LEU  61           HG       LEU  61 122.908   5.520  -1.955
  432   1HD1  LEU  61          1HD1      LEU  61 122.565   4.832   0.358
  433   2HD1  LEU  61          2HD1      LEU  61 123.747   3.542   0.139
  434   3HD1  LEU  61          3HD1      LEU  61 122.242   3.524  -0.781
  435   1HD2  LEU  61          1HD2      LEU  61 125.592   5.381  -0.621
  436   2HD2  LEU  61          2HD2      LEU  61 124.284   6.388   0.000
  437   3HD2  LEU  61          3HD2      LEU  61 124.926   6.675  -1.617
  438    H    ALA  62           H        ALA  62 125.711   2.232  -3.031
  439    HA   ALA  62           HA       ALA  62 127.051   1.799  -5.609
  440   1HB   ALA  62          1HB       ALA  62 127.903   0.448  -3.063
  441   2HB   ALA  62          2HB       ALA  62 128.625   1.948  -3.642
  442   3HB   ALA  62          3HB       ALA  62 128.740   0.481  -4.614
  443    H    LEU  63           H        LEU  63 127.406  -0.780  -5.775
  444    HA   LEU  63           HA       LEU  63 124.727  -1.842  -5.898
  445   1HB   LEU  63          1HB       LEU  63 126.583  -2.136  -7.628
  446   2HB   LEU  63          2HB       LEU  63 127.266  -3.323  -6.531
  447    HG   LEU  63           HG       LEU  63 124.452  -3.839  -7.030
  448   1HD1  LEU  63          1HD1      LEU  63 124.910  -4.673  -9.387
  449   2HD1  LEU  63          2HD1      LEU  63 126.303  -3.592  -9.380
  450   3HD1  LEU  63          3HD1      LEU  63 124.676  -2.937  -9.181
  451   1HD2  LEU  63          1HD2      LEU  63 126.560  -5.258  -6.197
  452   2HD2  LEU  63          2HD2      LEU  63 126.587  -5.685  -7.909
  453   3HD2  LEU  63          3HD2      LEU  63 125.141  -5.993  -6.946
  454    H    TRP  64           H        TRP  64 127.479  -2.150  -3.829
  455    HA   TRP  64           HA       TRP  64 126.535  -4.557  -2.549
  456   1HB   TRP  64          1HB       TRP  64 128.529  -4.070  -1.065
  457   2HB   TRP  64          2HB       TRP  64 128.915  -4.304  -2.777
  458    HD1  TRP  64           HD1      TRP  64 130.017  -2.282  -4.024
  459    HE1  TRP  64           HE1      TRP  64 130.721   0.083  -3.308
  460    HE3  TRP  64           HE3      TRP  64 127.731  -2.170   0.417
  461    HZ2  TRP  64           HZ2      TRP  64 130.329   1.778  -1.032
  462    HZ3  TRP  64           HZ3      TRP  64 127.933  -0.140   1.838
  463    HH2  TRP  64           HH2      TRP  64 129.193   1.785   1.112
  464    H    LYS  65           H        LYS  65 126.610  -1.119  -2.188
  465    HA   LYS  65           HA       LYS  65 125.685  -1.023   0.512
  466   1HB   LYS  65          1HB       LYS  65 126.829   0.830  -0.961
  467   2HB   LYS  65          2HB       LYS  65 125.174   1.189  -1.446
  468   1HG   LYS  65          1HG       LYS  65 124.550   1.820   0.712
  469   2HG   LYS  65          2HG       LYS  65 125.950   1.026   1.445
  470   1HD   LYS  65          1HD       LYS  65 127.433   2.686   0.582
  471   2HD   LYS  65          2HD       LYS  65 126.156   3.391  -0.416
  472   1HE   LYS  65          1HE       LYS  65 126.743   4.622   1.727
  473   2HE   LYS  65          2HE       LYS  65 125.031   4.267   1.458
  474   1HZ   LYS  65          1HZ       LYS  65 126.036   3.799   3.753
  475   2HZ   LYS  65          2HZ       LYS  65 126.722   2.431   3.034
  476   3HZ   LYS  65          3HZ       LYS  65 125.041   2.617   3.063
  477    H    ARG  66           H        ARG  66 124.028  -0.127  -2.529
  478    HA   ARG  66           HA       ARG  66 121.451   0.096  -1.644
  479   1HB   ARG  66          1HB       ARG  66 122.412  -1.176  -4.212
  480   2HB   ARG  66          2HB       ARG  66 120.752  -0.685  -3.912
  481   1HG   ARG  66          1HG       ARG  66 121.436   1.617  -3.692
  482   2HG   ARG  66          2HG       ARG  66 123.127   1.150  -3.883
  483   1HD   ARG  66          1HD       ARG  66 121.249   0.303  -6.011
  484   2HD   ARG  66          2HD       ARG  66 121.615   2.030  -5.911
  485    HE   ARG  66           HE       ARG  66 123.429  -0.109  -6.661
  486   1HH1  ARG  66          1HH1      ARG  66 123.079   3.240  -5.729
  487   2HH1  ARG  66          2HH1      ARG  66 124.598   3.714  -6.412
  488   1HH2  ARG  66          1HH2      ARG  66 125.424   0.517  -7.553
  489   2HH2  ARG  66          2HH2      ARG  66 125.929   2.170  -7.444
  490    H    ASN  67           H        ASN  67 123.170  -2.834  -2.536
  491    HA   ASN  67           HA       ASN  67 121.057  -4.656  -2.183
  492   1HB   ASN  67          1HB       ASN  67 123.996  -4.807  -2.385
  493   2HB   ASN  67          2HB       ASN  67 123.250  -6.134  -1.492
  494   1HD2  ASN  67          1HD2      ASN  67 123.151  -4.366  -4.540
  495   2HD2  ASN  67          2HD2      ASN  67 122.578  -5.687  -5.495
  496    H    GLU  68           H        GLU  68 123.767  -4.074   0.057
  497    HA   GLU  68           HA       GLU  68 122.833  -5.432   2.243
  498   1HB   GLU  68          1HB       GLU  68 125.034  -3.985   1.769
  499   2HB   GLU  68          2HB       GLU  68 124.168  -2.834   2.777
  500   1HG   GLU  68          1HG       GLU  68 125.500  -4.029   4.265
  501   2HG   GLU  68          2HG       GLU  68 123.898  -4.744   4.438
  502    H    LEU  69           H        LEU  69 121.974  -2.171   1.190
  503    HA   LEU  69           HA       LEU  69 120.537  -1.441   3.511
  504   1HB   LEU  69          1HB       LEU  69 119.987  -0.509   0.702
  505   2HB   LEU  69          2HB       LEU  69 119.585   0.314   2.194
  506    HG   LEU  69           HG       LEU  69 122.410  -0.269   1.567
  507   1HD1  LEU  69          1HD1      LEU  69 121.826   2.371   0.790
  508   2HD1  LEU  69          2HD1      LEU  69 120.698   1.311  -0.051
  509   3HD1  LEU  69          3HD1      LEU  69 122.436   1.052  -0.206
  510   1HD2  LEU  69          1HD2      LEU  69 120.963   1.824   3.161
  511   2HD2  LEU  69          2HD2      LEU  69 122.698   1.863   2.845
  512   3HD2  LEU  69          3HD2      LEU  69 121.998   0.532   3.769
  513    H    LYS  70           H        LYS  70 119.313  -2.369   0.327
  514    HA   LYS  70           HA       LYS  70 116.647  -2.842   1.118
  515   1HB   LYS  70          1HB       LYS  70 118.353  -3.527  -1.211
  516   2HB   LYS  70          2HB       LYS  70 116.912  -4.510  -0.982
  517   1HG   LYS  70          1HG       LYS  70 115.493  -2.597  -1.129
  518   2HG   LYS  70          2HG       LYS  70 116.881  -1.504  -1.098
  519   1HD   LYS  70          1HD       LYS  70 117.403  -1.888  -3.278
  520   2HD   LYS  70          2HD       LYS  70 116.832  -3.558  -3.234
  521   1HE   LYS  70          1HE       LYS  70 114.862  -1.328  -2.999
  522   2HE   LYS  70          2HE       LYS  70 115.523  -1.731  -4.584
  523   1HZ   LYS  70          1HZ       LYS  70 114.377  -3.643  -4.668
  524   2HZ   LYS  70          2HZ       LYS  70 113.377  -2.906  -3.520
  525   3HZ   LYS  70          3HZ       LYS  70 114.582  -3.984  -3.023
  526    H    LYS  71           H        LYS  71 119.538  -4.630   1.552
  527    HA   LYS  71           HA       LYS  71 118.226  -7.161   2.036
  528   1HB   LYS  71          1HB       LYS  71 121.082  -6.202   2.049
  529   2HB   LYS  71          2HB       LYS  71 120.651  -7.792   2.686
  530   1HG   LYS  71          1HG       LYS  71 119.841  -8.507   0.574
  531   2HG   LYS  71          2HG       LYS  71 119.919  -6.868  -0.078
  532   1HD   LYS  71          1HD       LYS  71 121.909  -7.493  -0.902
  533   2HD   LYS  71          2HD       LYS  71 122.496  -7.289   0.749
  534   1HE   LYS  71          1HE       LYS  71 121.835  -9.710   1.125
  535   2HE   LYS  71          2HE       LYS  71 121.639  -9.824  -0.623
  536   1HZ   LYS  71          1HZ       LYS  71 124.063  -9.664   0.961
  537   2HZ   LYS  71          2HZ       LYS  71 124.066  -8.741  -0.455
  538   3HZ   LYS  71          3HZ       LYS  71 123.792 -10.408  -0.534
  539    H    LYS  72           H        LYS  72 119.424  -4.459   3.851
  540    HA   LYS  72           HA       LYS  72 119.118  -5.880   6.375
  541   1HB   LYS  72          1HB       LYS  72 121.141  -4.526   6.124
  542   2HB   LYS  72          2HB       LYS  72 120.164  -3.106   5.779
  543   1HG   LYS  72          1HG       LYS  72 119.207  -4.024   8.218
  544   2HG   LYS  72          2HG       LYS  72 120.958  -4.235   8.317
  545   1HD   LYS  72          1HD       LYS  72 120.267  -2.029   9.131
  546   2HD   LYS  72          2HD       LYS  72 121.288  -1.901   7.699
  547   1HE   LYS  72          1HE       LYS  72 118.690  -2.053   6.708
  548   2HE   LYS  72          2HE       LYS  72 118.569  -1.002   8.119
  549   1HZ   LYS  72          1HZ       LYS  72 119.135   0.512   6.542
  550   2HZ   LYS  72          2HZ       LYS  72 120.020  -0.591   5.613
  551   3HZ   LYS  72          3HZ       LYS  72 120.692   0.057   7.024
  552    H    ALA  73           H        ALA  73 117.589  -3.682   4.283
  553    HA   ALA  73           HA       ALA  73 115.799  -2.511   6.211
  554   1HB   ALA  73          1HB       ALA  73 116.245  -2.326   3.274
  555   2HB   ALA  73          2HB       ALA  73 116.210  -1.045   4.487
  556   3HB   ALA  73          3HB       ALA  73 114.703  -1.780   3.935
  557    H    GLU  74           H        GLU  74 115.974  -5.551   5.119
  558    HA   GLU  74           HA       GLU  74 114.518  -7.283   5.009
  559   1HB   GLU  74          1HB       GLU  74 112.522  -5.275   6.072
  560   2HB   GLU  74          2HB       GLU  74 112.285  -7.014   6.018
  561   1HG   GLU  74          1HG       GLU  74 114.000  -7.379   7.623
  562   2HG   GLU  74          2HG       GLU  74 114.517  -5.697   7.537
  563    H    LEU  75           H        LEU  75 114.764  -5.103   2.868
  564    HA   LEU  75           HA       LEU  75 112.604  -6.140   1.226
  565   1HB   LEU  75          1HB       LEU  75 112.783  -3.541   0.325
  566   2HB   LEU  75          2HB       LEU  75 111.467  -4.229   1.265
  567    HG   LEU  75           HG       LEU  75 113.493  -3.414   3.059
  568   1HD1  LEU  75          1HD1      LEU  75 113.305  -0.905   2.493
  569   2HD1  LEU  75          2HD1      LEU  75 112.959  -1.467   0.852
  570   3HD1  LEU  75          3HD1      LEU  75 114.490  -1.885   1.626
  571   1HD2  LEU  75          1HD2      LEU  75 111.531  -1.604   3.384
  572   2HD2  LEU  75          2HD2      LEU  75 111.449  -3.257   3.991
  573   3HD2  LEU  75          3HD2      LEU  75 110.672  -2.840   2.463
  574    H    PHE  76           H        PHE  76 114.629  -7.374   0.658
  575    HA   PHE  76           HA       PHE  76 115.881  -6.015  -1.639
  576   1HB   PHE  76          1HB       PHE  76 117.798  -6.198  -0.429
  577   2HB   PHE  76          2HB       PHE  76 117.160  -7.489   0.587
  578    HD1  PHE  76           HD1      PHE  76 118.938  -6.669  -2.495
  579    HD2  PHE  76           HD2      PHE  76 117.405  -9.811  -0.069
  580    HE1  PHE  76           HE1      PHE  76 120.286  -8.295  -3.757
  581    HE2  PHE  76           HE2      PHE  76 118.751 -11.444  -1.325
  582    HZ   PHE  76           HZ       PHE  76 120.195 -10.686  -3.171
  Start of MODEL    6
    1    HT1  PRO   9           HT1      PRO   9 100.831  14.355  -8.736
    2    HT2  PRO   9           HT2      PRO   9 101.772  14.073  -7.416
    3    HA   PRO   9           HA       PRO   9 102.207  13.374  -9.885
    4   1HB   PRO   9          1HB       PRO   9 104.535  15.083  -9.525
    5   2HB   PRO   9          2HB       PRO   9 103.492  14.895 -10.940
    6   1HG   PRO   9          1HG       PRO   9 103.506  17.136  -9.409
    7   2HG   PRO   9          2HG       PRO   9 102.071  16.567 -10.282
    8   1HD   PRO   9          1HD       PRO   9 102.777  16.238  -7.380
    9   2HD   PRO   9          2HD       PRO   9 101.223  16.683  -8.111
   10    H    GLY  10           H        GLY  10 102.126  12.119  -7.530
   11   1HA   GLY  10          1HA       GLY  10 104.860  11.122  -7.253
   12   2HA   GLY  10          2HA       GLY  10 104.079  11.718  -5.798
   13    H    LEU  11           H        LEU  11 104.558   9.498  -5.120
   14    HA   LEU  11           HA       LEU  11 102.449   7.650  -6.007
   15   1HB   LEU  11          1HB       LEU  11 103.972   5.843  -5.230
   16   2HB   LEU  11          2HB       LEU  11 104.530   6.727  -6.636
   17    HG   LEU  11           HG       LEU  11 105.695   8.069  -4.500
   18   1HD1  LEU  11          1HD1      LEU  11 104.903   5.818  -3.314
   19   2HD1  LEU  11          2HD1      LEU  11 106.418   6.626  -2.910
   20   3HD1  LEU  11          3HD1      LEU  11 106.421   5.245  -4.007
   21   1HD2  LEU  11          1HD2      LEU  11 107.144   5.874  -5.894
   22   2HD2  LEU  11          2HD2      LEU  11 107.660   7.525  -5.546
   23   3HD2  LEU  11          3HD2      LEU  11 106.501   7.216  -6.840
   24    H    GLN  12           H        GLN  12 101.783   6.068  -4.332
   25    HA   GLN  12           HA       GLN  12 101.104   7.466  -1.919
   26   1HB   GLN  12          1HB       GLN  12 100.264   4.901  -1.462
   27   2HB   GLN  12          2HB       GLN  12  99.311   6.154  -2.241
   28   1HG   GLN  12          1HG       GLN  12  99.205   4.093  -3.495
   29   2HG   GLN  12          2HG       GLN  12 100.032   5.334  -4.431
   30   1HE2  GLN  12          1HE2      GLN  12 100.164   2.204  -3.228
   31   2HE2  GLN  12          2HE2      GLN  12 101.816   1.856  -3.597
   32    H    ILE  13           H        ILE  13 101.935   7.281   0.063
   33    HA   ILE  13           HA       ILE  13 104.213   5.455   0.413
   34    HB   ILE  13           HB       ILE  13 103.679   7.918   2.053
   35   1HG1  ILE  13          1HG1      ILE  13 103.946   8.310  -0.498
   36   2HG1  ILE  13          2HG1      ILE  13 104.945   9.246   0.608
   37   1HG2  ILE  13          1HG2      ILE  13 106.167   6.300   1.546
   38   2HG2  ILE  13          2HG2      ILE  13 105.202   6.300   3.023
   39   3HG2  ILE  13          3HG2      ILE  13 106.072   7.756   2.539
   40   1HD1  ILE  13          1HD1      ILE  13 105.807   6.806  -0.923
   41   2HD1  ILE  13          2HD1      ILE  13 106.809   7.716   0.208
   42   3HD1  ILE  13          3HD1      ILE  13 106.242   8.478  -1.279
   43    H    TYR  14           H        TYR  14 104.153   3.952   1.989
   44    HA   TYR  14           HA       TYR  14 102.055   4.157   4.047
   45   1HB   TYR  14          1HB       TYR  14 102.952   1.524   2.888
   46   2HB   TYR  14          2HB       TYR  14 101.511   1.870   3.837
   47    HD1  TYR  14           HD1      TYR  14 103.051   2.914   0.589
   48    HD2  TYR  14           HD2      TYR  14  99.507   1.922   2.724
   49    HE1  TYR  14           HE1      TYR  14 101.750   3.145  -1.470
   50    HE2  TYR  14           HE2      TYR  14  98.193   2.151   0.660
   51    HH   TYR  14           HH       TYR  14  98.439   3.406  -1.548
   52    HA   PRO  15           HA       PRO  15 104.897   3.187   7.289
   53   1HB   PRO  15          1HB       PRO  15 103.712   0.462   7.585
   54   2HB   PRO  15          2HB       PRO  15 104.006   1.701   8.814
   55   1HG   PRO  15          1HG       PRO  15 101.547   1.272   7.908
   56   2HG   PRO  15          2HG       PRO  15 102.118   2.922   8.221
   57   1HD   PRO  15          1HD       PRO  15 101.766   1.494   5.622
   58   2HD   PRO  15          2HD       PRO  15 101.485   3.205   6.018
   59    H    TYR  16           H        TYR  16 106.639   1.601   7.968
   60    HA   TYR  16           HA       TYR  16 107.945   0.633   5.585
   61   1HB   TYR  16          1HB       TYR  16 109.438   1.758   6.946
   62   2HB   TYR  16          2HB       TYR  16 108.736   1.113   8.427
   63    HD1  TYR  16           HD1      TYR  16 110.838   0.207   5.503
   64    HD2  TYR  16           HD2      TYR  16 109.640  -0.754   9.462
   65    HE1  TYR  16           HE1      TYR  16 112.629  -1.476   5.609
   66    HE2  TYR  16           HE2      TYR  16 111.428  -2.443   9.601
   67    HH   TYR  16           HH       TYR  16 113.607  -2.895   8.536
   68    H    GLU  17           H        GLU  17 107.299  -0.820   8.788
   69    HA   GLU  17           HA       GLU  17 107.968  -3.417   8.332
   70   1HB   GLU  17          1HB       GLU  17 105.916  -2.105  10.032
   71   2HB   GLU  17          2HB       GLU  17 105.779  -3.846   9.826
   72   1HG   GLU  17          1HG       GLU  17 108.065  -4.124  10.636
   73   2HG   GLU  17          2HG       GLU  17 108.203  -2.376  10.842
   74    H    MET  18           H        MET  18 104.756  -2.019   7.621
   75    HA   MET  18           HA       MET  18 103.701  -4.385   6.485
   76   1HB   MET  18          1HB       MET  18 102.863  -1.563   5.815
   77   2HB   MET  18          2HB       MET  18 101.889  -3.022   5.702
   78   1HG   MET  18          1HG       MET  18 102.159  -3.232   8.209
   79   2HG   MET  18          2HG       MET  18 102.809  -1.589   8.174
   80   1HE   MET  18          1HE       MET  18  99.652  -0.123   9.353
   81   2HE   MET  18          2HE       MET  18 101.386  -0.392   9.521
   82   3HE   MET  18          3HE       MET  18 100.246  -1.618  10.073
   83    H    LEU  19           H        LEU  19 105.675  -1.817   5.254
   84    HA   LEU  19           HA       LEU  19 105.341  -2.609   2.487
   85   1HB   LEU  19          1HB       LEU  19 106.758  -0.419   3.931
   86   2HB   LEU  19          2HB       LEU  19 107.196  -0.779   2.270
   87    HG   LEU  19           HG       LEU  19 104.438  -0.007   3.224
   88   1HD1  LEU  19          1HD1      LEU  19 106.112   1.670   1.425
   89   2HD1  LEU  19          2HD1      LEU  19 106.430   1.705   3.159
   90   3HD1  LEU  19          3HD1      LEU  19 104.835   2.141   2.546
   91   1HD2  LEU  19          1HD2      LEU  19 104.070  -1.291   1.350
   92   2HD2  LEU  19          2HD2      LEU  19 105.585  -0.804   0.589
   93   3HD2  LEU  19          3HD2      LEU  19 104.230   0.325   0.662
   94    H    VAL  20           H        VAL  20 106.948  -4.071   4.864
   95    HA   VAL  20           HA       VAL  20 109.594  -4.231   3.803
   96    HB   VAL  20           HB       VAL  20 108.257  -6.163   5.692
   97   1HG1  VAL  20          1HG1      VAL  20 110.624  -6.407   6.501
   98   2HG1  VAL  20          2HG1      VAL  20 111.116  -5.570   5.030
   99   3HG1  VAL  20          3HG1      VAL  20 110.274  -7.119   4.923
  100   1HG2  VAL  20          1HG2      VAL  20 108.906  -4.841   7.488
  101   2HG2  VAL  20          2HG2      VAL  20 108.246  -3.692   6.326
  102   3HG2  VAL  20          3HG2      VAL  20 109.989  -3.867   6.495
  103    H    VAL  21           H        VAL  21 110.565  -6.339   3.031
  104    HA   VAL  21           HA       VAL  21 108.745  -7.441   1.019
  105    HB   VAL  21           HB       VAL  21 111.740  -7.713   1.069
  106   1HG1  VAL  21          1HG1      VAL  21 109.579  -8.476  -0.767
  107   2HG1  VAL  21          2HG1      VAL  21 111.196  -9.149  -0.572
  108   3HG1  VAL  21          3HG1      VAL  21 110.961  -7.687  -1.529
  109   1HG2  VAL  21          1HG2      VAL  21 110.343  -5.689  -0.613
  110   2HG2  VAL  21          2HG2      VAL  21 112.009  -5.720  -0.050
  111   3HG2  VAL  21          3HG2      VAL  21 110.712  -5.305   1.065
  112    H    THR  22           H        THR  22 111.560  -8.812   2.762
  113    HA   THR  22           HA       THR  22 110.387 -11.449   2.461
  114    HB   THR  22           HB       THR  22 112.780 -10.981   1.959
  115    HG1  THR  22           HG1      THR  22 113.316 -12.953   2.567
  116   1HG2  THR  22          1HG2      THR  22 113.351  -9.492   3.780
  117   2HG2  THR  22          2HG2      THR  22 114.385 -10.920   3.792
  118   3HG2  THR  22          3HG2      THR  22 113.059 -10.782   4.946
  119    H    ASN  23           H        ASN  23 109.997  -9.146   4.770
  120    HA   ASN  23           HA       ASN  23 109.982 -11.102   6.960
  121   1HB   ASN  23          1HB       ASN  23 109.848  -8.087   7.091
  122   2HB   ASN  23          2HB       ASN  23 109.936  -9.181   8.473
  123   1HD2  ASN  23          1HD2      ASN  23 111.661  -8.419   5.459
  124   2HD2  ASN  23          2HD2      ASN  23 113.243  -8.649   6.110
  125    H    LYS  24           H        LYS  24 107.873  -9.764   4.764
  126    HA   LYS  24           HA       LYS  24 105.607 -10.072   6.623
  127   1HB   LYS  24          1HB       LYS  24 105.534  -8.471   4.069
  128   2HB   LYS  24          2HB       LYS  24 104.384  -8.438   5.402
  129   1HG   LYS  24          1HG       LYS  24 107.215  -7.439   5.473
  130   2HG   LYS  24          2HG       LYS  24 105.756  -6.450   5.408
  131   1HD   LYS  24          1HD       LYS  24 105.339  -6.707   7.609
  132   2HD   LYS  24          2HD       LYS  24 105.824  -8.402   7.601
  133   1HE   LYS  24          1HE       LYS  24 108.217  -7.265   7.242
  134   2HE   LYS  24          2HE       LYS  24 107.418  -5.970   8.129
  135   1HZ   LYS  24          1HZ       LYS  24 107.261  -7.223  10.002
  136   2HZ   LYS  24          2HZ       LYS  24 108.666  -7.908   9.355
  137   3HZ   LYS  24          3HZ       LYS  24 107.179  -8.693   9.169
  138    H    GLY  25           H        GLY  25 107.005 -12.130   5.006
  139   1HA   GLY  25          1HA       GLY  25 105.862 -14.121   4.268
  140   2HA   GLY  25          2HA       GLY  25 104.633 -13.092   3.547
  141    H    ARG  26           H        ARG  26 105.058 -12.047   1.574
  142    HA   ARG  26           HA       ARG  26 107.515 -12.865   0.186
  143   1HB   ARG  26          1HB       ARG  26 105.964 -13.038  -1.911
  144   2HB   ARG  26          2HB       ARG  26 106.109 -14.403  -0.816
  145   1HG   ARG  26          1HG       ARG  26 103.867 -14.384  -0.954
  146   2HG   ARG  26          2HG       ARG  26 104.016 -13.151   0.298
  147   1HD   ARG  26          1HD       ARG  26 102.805 -11.870  -1.082
  148   2HD   ARG  26          2HD       ARG  26 104.314 -11.681  -1.971
  149    HE   ARG  26           HE       ARG  26 103.566 -13.275  -3.544
  150   1HH1  ARG  26          1HH1      ARG  26 101.145 -12.537  -1.130
  151   2HH1  ARG  26          2HH1      ARG  26  99.842 -13.173  -2.073
  152   1HH2  ARG  26          1HH2      ARG  26 101.848 -14.110  -4.772
  153   2HH2  ARG  26          2HH2      ARG  26 100.237 -14.066  -4.134
  154    H    THR  27           H        THR  27 104.589 -10.888  -0.057
  155    HA   THR  27           HA       THR  27 106.194  -8.552  -0.442
  156    HB   THR  27           HB       THR  27 105.898  -9.447  -2.755
  157    HG1  THR  27           HG1      THR  27 105.321  -7.461  -3.611
  158   1HG2  THR  27          1HG2      THR  27 103.952  -9.868  -3.737
  159   2HG2  THR  27          2HG2      THR  27 103.148  -8.498  -2.974
  160   3HG2  THR  27          3HG2      THR  27 103.334 -10.014  -2.099
  161    H    LYS  28           H        LYS  28 102.836  -9.707  -0.683
  162    HA   LYS  28           HA       LYS  28 100.889  -8.816   0.107
  163   1HB   LYS  28          1HB       LYS  28 102.856  -8.907   2.346
  164   2HB   LYS  28          2HB       LYS  28 101.203  -8.380   2.633
  165   1HG   LYS  28          1HG       LYS  28 101.181 -10.647   3.149
  166   2HG   LYS  28          2HG       LYS  28 100.504 -10.567   1.521
  167   1HD   LYS  28          1HD       LYS  28 102.830 -11.033   0.657
  168   2HD   LYS  28          2HD       LYS  28 103.297 -11.362   2.322
  169   1HE   LYS  28          1HE       LYS  28 100.891 -12.792   1.716
  170   2HE   LYS  28          2HE       LYS  28 102.097 -13.127   0.476
  171   1HZ   LYS  28          1HZ       LYS  28 102.126 -14.633   2.460
  172   2HZ   LYS  28          2HZ       LYS  28 102.678 -13.322   3.375
  173   3HZ   LYS  28          3HZ       LYS  28 103.609 -13.907   2.090
  174    H    LEU  29           H        LEU  29 102.846  -6.775  -0.996
  175    HA   LEU  29           HA       LEU  29 102.838  -4.434   0.484
  176   1HB   LEU  29          1HB       LEU  29 103.158  -5.209  -2.334
  177   2HB   LEU  29          2HB       LEU  29 102.736  -3.536  -2.063
  178    HG   LEU  29           HG       LEU  29 105.076  -3.646  -2.256
  179   1HD1  LEU  29          1HD1      LEU  29 104.366  -2.137  -0.528
  180   2HD1  LEU  29          2HD1      LEU  29 105.855  -2.926  -0.017
  181   3HD1  LEU  29          3HD1      LEU  29 104.316  -3.443   0.652
  182   1HD2  LEU  29          1HD2      LEU  29 106.159  -5.516  -1.834
  183   2HD2  LEU  29          2HD2      LEU  29 104.760  -6.173  -0.988
  184   3HD2  LEU  29          3HD2      LEU  29 105.954  -5.222  -0.109
  185    HA   PRO  30           HA       PRO  30  98.652  -2.948   0.426
  186   1HB   PRO  30          1HB       PRO  30  99.269  -0.240   0.156
  187   2HB   PRO  30          2HB       PRO  30  99.151  -1.113   1.687
  188   1HG   PRO  30          1HG       PRO  30 101.561  -0.368   0.105
  189   2HG   PRO  30          2HG       PRO  30 101.347  -0.445   1.864
  190   1HD   PRO  30          1HD       PRO  30 102.680  -2.346   0.493
  191   2HD   PRO  30          2HD       PRO  30 101.710  -2.726   1.932
  192    HA   PRO  31           HA       PRO  31  97.499  -1.985  -3.736
  193   1HB   PRO  31          1HB       PRO  31  96.387   0.684  -3.187
  194   2HB   PRO  31          2HB       PRO  31  95.567  -0.791  -3.716
  195   1HG   PRO  31          1HG       PRO  31  95.259   0.184  -1.230
  196   2HG   PRO  31          2HG       PRO  31  95.271  -1.558  -1.559
  197   1HD   PRO  31          1HD       PRO  31  97.457   0.182  -0.475
  198   2HD   PRO  31          2HD       PRO  31  96.960  -1.448   0.032
  199    H    GLY  32           H        GLY  32  99.256  -1.688  -5.035
  200   1HA   GLY  32          1HA       GLY  32 100.272  -0.295  -6.659
  201   2HA   GLY  32          2HA       GLY  32  99.975   1.089  -5.624
  202    H    VAL  33           H        VAL  33 101.632  -1.978  -4.851
  203    HA   VAL  33           HA       VAL  33 104.157  -0.514  -4.663
  204    HB   VAL  33           HB       VAL  33 104.050  -2.327  -2.480
  205   1HG1  VAL  33          1HG1      VAL  33 104.550   0.569  -2.888
  206   2HG1  VAL  33          2HG1      VAL  33 105.668  -0.707  -2.404
  207   3HG1  VAL  33          3HG1      VAL  33 104.473  -0.100  -1.259
  208   1HG2  VAL  33          1HG2      VAL  33 101.537  -1.315  -2.839
  209   2HG2  VAL  33          2HG2      VAL  33 102.259  -0.162  -1.721
  210   3HG2  VAL  33          3HG2      VAL  33 102.211  -1.878  -1.315
  211    H    ASP  34           H        ASP  34 105.828  -1.559  -5.431
  212    HA   ASP  34           HA       ASP  34 105.767  -4.482  -5.595
  213   1HB   ASP  34          1HB       ASP  34 105.015  -3.298  -7.774
  214   2HB   ASP  34          2HB       ASP  34 106.713  -2.850  -7.940
  215    H    ARG  35           H        ARG  35 107.806  -5.468  -5.613
  216    HA   ARG  35           HA       ARG  35 109.800  -4.274  -4.107
  217   1HB   ARG  35          1HB       ARG  35 109.669  -6.683  -5.854
  218   2HB   ARG  35          2HB       ARG  35 111.251  -6.145  -5.306
  219   1HG   ARG  35          1HG       ARG  35 110.376  -7.836  -3.822
  220   2HG   ARG  35          2HG       ARG  35 110.484  -6.285  -2.981
  221   1HD   ARG  35          1HD       ARG  35 108.396  -7.192  -2.371
  222   2HD   ARG  35          2HD       ARG  35 108.041  -5.956  -3.577
  223    HE   ARG  35           HE       ARG  35 107.153  -7.589  -4.888
  224   1HH1  ARG  35          1HH1      ARG  35 109.369  -9.085  -2.646
  225   2HH1  ARG  35          2HH1      ARG  35 109.004 -10.696  -3.164
  226   1HH2  ARG  35          1HH2      ARG  35 106.672  -9.708  -5.573
  227   2HH2  ARG  35          2HH2      ARG  35 107.474 -11.050  -4.827
  228    H    MET  36           H        MET  36 109.149  -3.912  -7.467
  229    HA   MET  36           HA       MET  36 111.579  -3.412  -8.619
  230   1HB   MET  36          1HB       MET  36 109.012  -1.870  -9.030
  231   2HB   MET  36          2HB       MET  36 110.397  -1.824 -10.112
  232   1HG   MET  36          1HG       MET  36 108.856  -4.319  -9.442
  233   2HG   MET  36          2HG       MET  36 108.556  -3.310 -10.860
  234   1HE   MET  36          1HE       MET  36 111.719  -3.610 -12.939
  235   2HE   MET  36          2HE       MET  36 110.505  -2.503 -12.297
  236   3HE   MET  36          3HE       MET  36 110.011  -3.885 -13.275
  237    H    ARG  37           H        ARG  37 109.690  -1.196  -6.596
  238    HA   ARG  37           HA       ARG  37 112.118   0.324  -6.068
  239   1HB   ARG  37          1HB       ARG  37 110.673   2.467  -6.365
  240   2HB   ARG  37          2HB       ARG  37 111.399   1.714  -7.775
  241   1HG   ARG  37          1HG       ARG  37 108.698   0.775  -7.088
  242   2HG   ARG  37          2HG       ARG  37 108.818   2.454  -7.616
  243   1HD   ARG  37          1HD       ARG  37 110.224   0.343  -9.179
  244   2HD   ARG  37          2HD       ARG  37 108.477   0.507  -9.348
  245    HE   ARG  37           HE       ARG  37 109.927   2.979  -9.634
  246   1HH1  ARG  37          1HH1      ARG  37 108.704   0.155 -11.284
  247   2HH1  ARG  37          2HH1      ARG  37 108.667   0.924 -12.835
  248   1HH2  ARG  37          1HH2      ARG  37 109.879   3.989 -11.674
  249   2HH2  ARG  37          2HH2      ARG  37 109.336   3.100 -13.058
  250    H    LEU  38           H        LEU  38 110.761  -1.426  -4.376
  251    HA   LEU  38           HA       LEU  38 108.843  -0.271  -2.730
  252   1HB   LEU  38          1HB       LEU  38 110.759  -2.504  -2.510
  253   2HB   LEU  38          2HB       LEU  38 110.146  -1.867  -0.988
  254    HG   LEU  38           HG       LEU  38 108.414  -2.834  -3.266
  255   1HD1  LEU  38          1HD1      LEU  38 108.972  -4.179  -0.631
  256   2HD1  LEU  38          2HD1      LEU  38 109.735  -4.628  -2.156
  257   3HD1  LEU  38          3HD1      LEU  38 107.990  -4.792  -1.960
  258   1HD2  LEU  38          1HD2      LEU  38 106.583  -2.515  -1.837
  259   2HD2  LEU  38          2HD2      LEU  38 107.537  -1.041  -1.709
  260   3HD2  LEU  38          3HD2      LEU  38 107.615  -2.255  -0.433
  261    H    GLU  39           H        GLU  39 112.360  -0.044  -2.628
  262    HA   GLU  39           HA       GLU  39 112.499   1.375  -0.184
  263   1HB   GLU  39          1HB       GLU  39 114.780   1.648  -0.617
  264   2HB   GLU  39          2HB       GLU  39 114.377   0.127  -1.397
  265   1HG   GLU  39          1HG       GLU  39 114.639   2.788  -2.779
  266   2HG   GLU  39          2HG       GLU  39 115.852   1.509  -2.765
  267    H    ARG  40           H        ARG  40 110.877   2.307  -2.791
  268    HA   ARG  40           HA       ARG  40 111.663   5.132  -2.546
  269   1HB   ARG  40          1HB       ARG  40 111.628   3.611  -4.818
  270   2HB   ARG  40          2HB       ARG  40 110.037   4.356  -4.867
  271   1HG   ARG  40          1HG       ARG  40 111.746   6.443  -4.229
  272   2HG   ARG  40          2HG       ARG  40 112.634   5.495  -5.423
  273   1HD   ARG  40          1HD       ARG  40 110.598   5.555  -6.868
  274   2HD   ARG  40          2HD       ARG  40 109.873   6.669  -5.709
  275    HE   ARG  40           HE       ARG  40 112.210   7.873  -6.317
  276   1HH1  ARG  40          1HH1      ARG  40 109.636   6.574  -8.283
  277   2HH1  ARG  40          2HH1      ARG  40 109.886   7.699  -9.576
  278   1HH2  ARG  40          1HH2      ARG  40 112.541   9.353  -8.015
  279   2HH2  ARG  40          2HH2      ARG  40 111.536   9.277  -9.424
  280    H    HIS  41           H        HIS  41 109.327   2.813  -1.926
  281    HA   HIS  41           HA       HIS  41 107.051   4.610  -1.998
  282   1HB   HIS  41          1HB       HIS  41 107.485   1.687  -1.527
  283   2HB   HIS  41          2HB       HIS  41 106.008   2.438  -0.950
  284    HD1  HIS  41           HD1      HIS  41 104.708   3.859  -2.971
  285    HD2  HIS  41           HD2      HIS  41 107.291   0.792  -4.060
  286    HE1  HIS  41           HE1      HIS  41 104.075   3.250  -5.328
  287    HE2  HIS  41           HE2      HIS  41 105.719   1.464  -5.999
  288    H    LEU  42           H        LEU  42 109.567   4.094   0.051
  289    HA   LEU  42           HA       LEU  42 108.147   4.154   2.548
  290   1HB   LEU  42          1HB       LEU  42 111.054   4.340   1.781
  291   2HB   LEU  42          2HB       LEU  42 110.491   4.424   3.446
  292    HG   LEU  42           HG       LEU  42 109.462   2.103   2.001
  293   1HD1  LEU  42          1HD1      LEU  42 112.180   1.493   2.733
  294   2HD1  LEU  42          2HD1      LEU  42 112.122   2.716   1.455
  295   3HD1  LEU  42          3HD1      LEU  42 111.312   1.166   1.230
  296   1HD2  LEU  42          1HD2      LEU  42 109.971   1.016   4.033
  297   2HD2  LEU  42          2HD2      LEU  42 109.326   2.607   4.433
  298   3HD2  LEU  42          3HD2      LEU  42 111.063   2.312   4.523
  299    H    SER  43           H        SER  43 107.937   5.877   3.902
  300    HA   SER  43           HA       SER  43 107.909   8.468   2.724
  301   1HB   SER  43          1HB       SER  43 107.603   8.982   5.376
  302   2HB   SER  43          2HB       SER  43 106.289   8.461   4.316
  303    HG   SER  43           HG       SER  43 107.768   6.976   6.190
  304    H    ALA  44           H        ALA  44 109.056  10.343   3.493
  305    HA   ALA  44           HA       ALA  44 111.790  10.137   3.446
  306   1HB   ALA  44          1HB       ALA  44 110.546  12.246   3.158
  307   2HB   ALA  44          2HB       ALA  44 111.889  12.409   4.291
  308   3HB   ALA  44          3HB       ALA  44 110.238  12.281   4.895
  309    H    GLU  45           H        GLU  45 109.661   9.733   6.165
  310    HA   GLU  45           HA       GLU  45 111.772   9.785   8.135
  311   1HB   GLU  45          1HB       GLU  45 109.320   8.391   8.921
  312   2HB   GLU  45          2HB       GLU  45 110.114   9.764   9.666
  313   1HG   GLU  45          1HG       GLU  45 109.077  11.020   7.578
  314   2HG   GLU  45          2HG       GLU  45 107.936   9.679   7.668
  315    H    ASP  46           H        ASP  46 109.678   7.352   6.670
  316    HA   ASP  46           HA       ASP  46 110.718   5.079   7.863
  317   1HB   ASP  46          1HB       ASP  46 109.150   5.679   5.444
  318   2HB   ASP  46          2HB       ASP  46 110.050   4.163   5.382
  319    H    PHE  47           H        PHE  47 111.619   6.467   4.689
  320    HA   PHE  47           HA       PHE  47 113.647   4.690   4.067
  321   1HB   PHE  47          1HB       PHE  47 112.592   6.632   2.691
  322   2HB   PHE  47          2HB       PHE  47 113.897   7.598   3.385
  323    HD1  PHE  47           HD1      PHE  47 113.280   4.427   1.561
  324    HD2  PHE  47           HD2      PHE  47 115.955   7.636   2.358
  325    HE1  PHE  47           HE1      PHE  47 114.832   3.574  -0.167
  326    HE2  PHE  47           HE2      PHE  47 117.503   6.792   0.640
  327    HZ   PHE  47           HZ       PHE  47 116.934   4.762  -0.628
  328    H    SER  48           H        SER  48 114.086   7.940   5.466
  329    HA   SER  48           HA       SER  48 116.813   7.636   6.017
  330   1HB   SER  48          1HB       SER  48 116.613   9.631   7.364
  331   2HB   SER  48          2HB       SER  48 115.578   9.811   5.948
  332    HG   SER  48           HG       SER  48 114.897   9.944   8.512
  333    H    ARG  49           H        ARG  49 114.119   6.237   7.563
  334    HA   ARG  49           HA       ARG  49 115.472   5.925  10.119
  335   1HB   ARG  49          1HB       ARG  49 113.071   6.411  10.113
  336   2HB   ARG  49          2HB       ARG  49 112.769   4.945   9.189
  337   1HG   ARG  49          1HG       ARG  49 112.417   3.963  11.151
  338   2HG   ARG  49          2HG       ARG  49 114.167   4.019  11.366
  339   1HD   ARG  49          1HD       ARG  49 113.525   6.496  12.187
  340   2HD   ARG  49          2HD       ARG  49 112.040   5.643  12.620
  341    HE   ARG  49           HE       ARG  49 113.186   4.552  14.280
  342   1HH1  ARG  49          1HH1      ARG  49 115.474   6.090  12.140
  343   2HH1  ARG  49          2HH1      ARG  49 116.834   5.776  13.165
  344   1HH2  ARG  49          1HH2      ARG  49 114.974   4.139  15.629
  345   2HH2  ARG  49          2HH2      ARG  49 116.550   4.669  15.146
  346    H    VAL  50           H        VAL  50 114.642   4.038   7.275
  347    HA   VAL  50           HA       VAL  50 115.606   1.587   8.530
  348    HB   VAL  50           HB       VAL  50 114.729   1.824   5.663
  349   1HG1  VAL  50          1HG1      VAL  50 114.442  -0.497   7.548
  350   2HG1  VAL  50          2HG1      VAL  50 115.902  -0.224   6.596
  351   3HG1  VAL  50          3HG1      VAL  50 114.356  -0.492   5.786
  352   1HG2  VAL  50          1HG2      VAL  50 113.067   2.599   7.658
  353   2HG2  VAL  50          2HG2      VAL  50 112.737   0.870   7.601
  354   3HG2  VAL  50          3HG2      VAL  50 112.535   1.853   6.151
  355    H    PHE  51           H        PHE  51 116.501   3.830   5.948
  356    HA   PHE  51           HA       PHE  51 118.959   2.285   5.498
  357   1HB   PHE  51          1HB       PHE  51 117.748   4.506   3.841
  358   2HB   PHE  51          2HB       PHE  51 119.189   3.581   3.426
  359    HD1  PHE  51           HD1      PHE  51 115.886   3.947   2.674
  360    HD2  PHE  51           HD2      PHE  51 118.685   0.891   3.612
  361    HE1  PHE  51           HE1      PHE  51 114.491   2.311   1.474
  362    HE2  PHE  51           HE2      PHE  51 117.293  -0.754   2.410
  363    HZ   PHE  51           HZ       PHE  51 115.204  -0.033   1.336
  364    H    ALA  52           H        ALA  52 117.803   5.487   6.423
  365    HA   ALA  52           HA       ALA  52 118.854   7.144   7.619
  366   1HB   ALA  52          1HB       ALA  52 121.476   5.746   7.500
  367   2HB   ALA  52          2HB       ALA  52 120.198   5.098   8.528
  368   3HB   ALA  52          3HB       ALA  52 120.795   6.739   8.789
  369    H    MET  53           H        MET  53 119.008   6.575   4.615
  370    HA   MET  53           HA       MET  53 120.925   8.707   3.970
  371   1HB   MET  53          1HB       MET  53 120.944   7.174   1.721
  372   2HB   MET  53          2HB       MET  53 122.175   7.137   2.979
  373   1HG   MET  53          1HG       MET  53 121.462   5.147   3.824
  374   2HG   MET  53          2HG       MET  53 119.790   5.408   3.324
  375   1HE   MET  53          1HE       MET  53 119.229   5.725   0.828
  376   2HE   MET  53          2HE       MET  53 119.927   4.739  -0.457
  377   3HE   MET  53          3HE       MET  53 120.722   6.229   0.033
  378    H    SER  54           H        SER  54 120.472   9.785   1.944
  379    HA   SER  54           HA       SER  54 117.736  10.521   1.792
  380   1HB   SER  54          1HB       SER  54 119.471  12.158   1.379
  381   2HB   SER  54          2HB       SER  54 120.105  11.197   0.036
  382    HG   SER  54           HG       SER  54 117.634  12.581   0.189
  383    HA   PRO  55           HA       PRO  55 116.042   7.585  -1.083
  384   1HB   PRO  55          1HB       PRO  55 114.779  10.026  -2.255
  385   2HB   PRO  55          2HB       PRO  55 114.037   8.490  -1.796
  386   1HG   PRO  55          1HG       PRO  55 113.759  10.659  -0.266
  387   2HG   PRO  55          2HG       PRO  55 113.953   9.046   0.451
  388   1HD   PRO  55          1HD       PRO  55 115.903  11.287   0.270
  389   2HD   PRO  55          2HD       PRO  55 115.735  10.028   1.512
  390    H    GLU  56           H        GLU  56 117.530  10.597  -2.055
  391    HA   GLU  56           HA       GLU  56 117.947   9.780  -4.786
  392   1HB   GLU  56          1HB       GLU  56 119.036  11.875  -5.083
  393   2HB   GLU  56          2HB       GLU  56 117.675  12.177  -4.009
  394   1HG   GLU  56          1HG       GLU  56 119.529  11.745  -2.162
  395   2HG   GLU  56          2HG       GLU  56 120.584  12.287  -3.471
  396    H    GLU  57           H        GLU  57 119.706   9.810  -1.763
  397    HA   GLU  57           HA       GLU  57 122.287   9.331  -2.671
  398   1HB   GLU  57          1HB       GLU  57 120.851   8.659  -0.102
  399   2HB   GLU  57          2HB       GLU  57 122.449   7.990  -0.408
  400   1HG   GLU  57          1HG       GLU  57 122.139  10.885  -0.854
  401   2HG   GLU  57          2HG       GLU  57 122.040  10.321   0.812
  402    H    PHE  58           H        PHE  58 119.790   6.940  -1.777
  403    HA   PHE  58           HA       PHE  58 121.038   4.555  -2.234
  404   1HB   PHE  58          1HB       PHE  58 118.477   5.288  -1.793
  405   2HB   PHE  58          2HB       PHE  58 118.352   4.853  -3.494
  406    HD1  PHE  58           HD1      PHE  58 118.435   3.655  -0.128
  407    HD2  PHE  58           HD2      PHE  58 119.078   2.511  -4.177
  408    HE1  PHE  58           HE1      PHE  58 118.172   1.299   0.506
  409    HE2  PHE  58           HE2      PHE  58 118.812   0.147  -3.549
  410    HZ   PHE  58           HZ       PHE  58 118.358  -0.465  -1.205
  411    H    GLY  59           H        GLY  59 119.136   6.168  -4.798
  412   1HA   GLY  59          1HA       GLY  59 119.963   4.593  -6.915
  413   2HA   GLY  59          2HA       GLY  59 119.443   6.263  -7.071
  414    H    LYS  60           H        LYS  60 121.748   7.065  -5.270
  415    HA   LYS  60           HA       LYS  60 123.747   7.129  -7.408
  416   1HB   LYS  60          1HB       LYS  60 123.473   8.833  -4.926
  417   2HB   LYS  60          2HB       LYS  60 124.726   9.021  -6.151
  418   1HG   LYS  60          1HG       LYS  60 122.748   9.287  -7.793
  419   2HG   LYS  60          2HG       LYS  60 121.800   9.605  -6.335
  420   1HD   LYS  60          1HD       LYS  60 123.177  11.471  -5.764
  421   2HD   LYS  60          2HD       LYS  60 124.338  11.074  -7.032
  422   1HE   LYS  60          1HE       LYS  60 122.145  11.314  -8.533
  423   2HE   LYS  60          2HE       LYS  60 121.690  12.392  -7.215
  424   1HZ   LYS  60          1HZ       LYS  60 122.797  13.632  -8.925
  425   2HZ   LYS  60          2HZ       LYS  60 124.131  12.591  -8.893
  426   3HZ   LYS  60          3HZ       LYS  60 123.799  13.580  -7.561
  427    H    LEU  61           H        LEU  61 123.153   5.212  -4.834
  428    HA   LEU  61           HA       LEU  61 125.766   5.142  -3.669
  429   1HB   LEU  61          1HB       LEU  61 123.330   3.374  -3.394
  430   2HB   LEU  61          2HB       LEU  61 124.788   3.175  -2.448
  431    HG   LEU  61           HG       LEU  61 122.794   5.388  -2.318
  432   1HD1  LEU  61          1HD1      LEU  61 123.758   3.204  -0.596
  433   2HD1  LEU  61          2HD1      LEU  61 122.138   3.871  -0.793
  434   3HD1  LEU  61          3HD1      LEU  61 123.332   4.724   0.188
  435   1HD2  LEU  61          1HD2      LEU  61 124.336   6.518  -0.736
  436   2HD2  LEU  61          2HD2      LEU  61 124.920   6.518  -2.400
  437   3HD2  LEU  61          3HD2      LEU  61 125.602   5.392  -1.226
  438    H    ALA  62           H        ALA  62 125.454   2.077  -3.605
  439    HA   ALA  62           HA       ALA  62 126.489   1.528  -6.298
  440   1HB   ALA  62          1HB       ALA  62 127.590   0.241  -3.819
  441   2HB   ALA  62          2HB       ALA  62 128.269   1.711  -4.512
  442   3HB   ALA  62          3HB       ALA  62 128.256   0.218  -5.450
  443    H    LEU  63           H        LEU  63 126.584  -0.902  -6.719
  444    HA   LEU  63           HA       LEU  63 123.960  -1.952  -6.396
  445   1HB   LEU  63          1HB       LEU  63 125.593  -2.298  -8.327
  446   2HB   LEU  63          2HB       LEU  63 126.359  -3.507  -7.315
  447    HG   LEU  63           HG       LEU  63 123.505  -3.950  -7.452
  448   1HD1  LEU  63          1HD1      LEU  63 124.961  -3.466  -9.995
  449   2HD1  LEU  63          2HD1      LEU  63 123.272  -3.168  -9.579
  450   3HD1  LEU  63          3HD1      LEU  63 123.821  -4.809  -9.923
  451   1HD2  LEU  63          1HD2      LEU  63 125.667  -5.429  -6.942
  452   2HD2  LEU  63          2HD2      LEU  63 125.462  -5.815  -8.651
  453   3HD2  LEU  63          3HD2      LEU  63 124.149  -6.122  -7.516
  454    H    TRP  64           H        TRP  64 126.941  -2.372  -4.659
  455    HA   TRP  64           HA       TRP  64 126.046  -4.754  -3.302
  456   1HB   TRP  64          1HB       TRP  64 128.204  -4.369  -2.035
  457   2HB   TRP  64          2HB       TRP  64 128.395  -4.588  -3.780
  458    HD1  TRP  64           HD1      TRP  64 129.445  -2.595  -5.109
  459    HE1  TRP  64           HE1      TRP  64 130.322  -0.276  -4.445
  460    HE3  TRP  64           HE3      TRP  64 127.648  -2.464  -0.453
  461    HZ2  TRP  64           HZ2      TRP  64 130.246   1.399  -2.118
  462    HZ3  TRP  64           HZ3      TRP  64 128.085  -0.469   0.966
  463    HH2  TRP  64           HH2      TRP  64 129.344   1.416   0.135
  464    H    LYS  65           H        LYS  65 126.331  -1.325  -2.866
  465    HA   LYS  65           HA       LYS  65 125.661  -1.299  -0.088
  466   1HB   LYS  65          1HB       LYS  65 126.775   0.565  -1.524
  467   2HB   LYS  65          2HB       LYS  65 125.120   1.005  -1.941
  468   1HG   LYS  65          1HG       LYS  65 124.604   1.640   0.224
  469   2HG   LYS  65          2HG       LYS  65 125.928   0.700   0.922
  470   1HD   LYS  65          1HD       LYS  65 127.537   2.267   0.281
  471   2HD   LYS  65          2HD       LYS  65 126.467   3.013  -0.912
  472   1HE   LYS  65          1HE       LYS  65 126.893   4.283   1.273
  473   2HE   LYS  65          2HE       LYS  65 125.220   4.120   0.725
  474   1HZ   LYS  65          1HZ       LYS  65 124.690   2.811   2.460
  475   2HZ   LYS  65          2HZ       LYS  65 126.021   3.551   3.196
  476   3HZ   LYS  65          3HZ       LYS  65 126.188   2.023   2.489
  477    H    ARG  66           H        ARG  66 123.785  -0.272  -2.957
  478    HA   ARG  66           HA       ARG  66 121.309   0.061  -1.844
  479   1HB   ARG  66          1HB       ARG  66 122.010  -1.198  -4.499
  480   2HB   ARG  66          2HB       ARG  66 120.388  -0.688  -4.054
  481   1HG   ARG  66          1HG       ARG  66 121.245   1.606  -3.740
  482   2HG   ARG  66          2HG       ARG  66 122.816   1.053  -4.320
  483   1HD   ARG  66          1HD       ARG  66 120.593   0.347  -6.083
  484   2HD   ARG  66          2HD       ARG  66 120.815   2.090  -5.876
  485    HE   ARG  66           HE       ARG  66 123.267   0.725  -6.432
  486   1HH1  ARG  66          1HH1      ARG  66 120.403   2.088  -7.888
  487   2HH1  ARG  66          2HH1      ARG  66 121.161   2.362  -9.422
  488   1HH2  ARG  66          1HH2      ARG  66 124.265   1.084  -8.448
  489   2HH2  ARG  66          2HH2      ARG  66 123.354   1.791  -9.739
  490    H    ASN  67           H        ASN  67 122.840  -2.924  -2.860
  491    HA   ASN  67           HA       ASN  67 120.702  -4.680  -2.321
  492   1HB   ASN  67          1HB       ASN  67 123.624  -4.928  -2.730
  493   2HB   ASN  67          2HB       ASN  67 122.881  -6.232  -1.803
  494   1HD2  ASN  67          1HD2      ASN  67 122.368  -4.344  -4.762
  495   2HD2  ASN  67          2HD2      ASN  67 121.810  -5.674  -5.716
  496    H    GLU  68           H        GLU  68 123.631  -4.230  -0.354
  497    HA   GLU  68           HA       GLU  68 122.866  -5.487   1.940
  498   1HB   GLU  68          1HB       GLU  68 124.898  -3.623   1.174
  499   2HB   GLU  68          2HB       GLU  68 124.278  -3.168   2.756
  500   1HG   GLU  68          1HG       GLU  68 125.951  -4.599   3.348
  501   2HG   GLU  68          2HG       GLU  68 124.585  -5.711   3.275
  502    H    LEU  69           H        LEU  69 122.032  -2.195   0.936
  503    HA   LEU  69           HA       LEU  69 120.852  -1.399   3.373
  504   1HB   LEU  69          1HB       LEU  69 120.051  -0.474   0.622
  505   2HB   LEU  69          2HB       LEU  69 119.818   0.374   2.139
  506    HG   LEU  69           HG       LEU  69 122.555  -0.306   1.272
  507   1HD1  LEU  69          1HD1      LEU  69 122.482   0.974  -0.529
  508   2HD1  LEU  69          2HD1      LEU  69 121.980   2.333   0.470
  509   3HD1  LEU  69          3HD1      LEU  69 120.770   1.278  -0.252
  510   1HD2  LEU  69          1HD2      LEU  69 121.260   1.384   3.258
  511   2HD2  LEU  69          2HD2      LEU  69 122.546   2.200   2.366
  512   3HD2  LEU  69          3HD2      LEU  69 122.887   0.704   3.238
  513    H    LYS  70           H        LYS  70 119.279  -2.339   0.345
  514    HA   LYS  70           HA       LYS  70 116.699  -2.702   1.419
  515   1HB   LYS  70          1HB       LYS  70 118.105  -3.423  -1.068
  516   2HB   LYS  70          2HB       LYS  70 116.758  -4.474  -0.654
  517   1HG   LYS  70          1HG       LYS  70 115.215  -2.697  -0.711
  518   2HG   LYS  70          2HG       LYS  70 116.502  -1.485  -0.737
  519   1HD   LYS  70          1HD       LYS  70 115.721  -1.588  -2.952
  520   2HD   LYS  70          2HD       LYS  70 117.211  -2.534  -2.953
  521   1HE   LYS  70          1HE       LYS  70 115.568  -4.521  -2.452
  522   2HE   LYS  70          2HE       LYS  70 114.377  -3.439  -3.173
  523   1HZ   LYS  70          1HZ       LYS  70 116.614  -4.831  -4.413
  524   2HZ   LYS  70          2HZ       LYS  70 116.303  -3.267  -4.975
  525   3HZ   LYS  70          3HZ       LYS  70 115.093  -4.446  -5.046
  526    H    LYS  71           H        LYS  71 119.550  -4.593   1.592
  527    HA   LYS  71           HA       LYS  71 118.195  -7.036   2.338
  528   1HB   LYS  71          1HB       LYS  71 121.060  -6.207   1.937
  529   2HB   LYS  71          2HB       LYS  71 120.673  -7.723   2.757
  530   1HG   LYS  71          1HG       LYS  71 119.237  -8.263   0.741
  531   2HG   LYS  71          2HG       LYS  71 120.028  -6.901  -0.053
  532   1HD   LYS  71          1HD       LYS  71 121.394  -9.338   1.099
  533   2HD   LYS  71          2HD       LYS  71 121.140  -9.001  -0.614
  534   1HE   LYS  71          1HE       LYS  71 123.068  -7.901  -0.655
  535   2HE   LYS  71          2HE       LYS  71 122.406  -6.735   0.488
  536   1HZ   LYS  71          1HZ       LYS  71 123.620  -9.292   1.355
  537   2HZ   LYS  71          2HZ       LYS  71 123.275  -7.929   2.296
  538   3HZ   LYS  71          3HZ       LYS  71 124.527  -7.878   1.161
  539    H    LYS  72           H        LYS  72 119.661  -4.300   3.864
  540    HA   LYS  72           HA       LYS  72 119.630  -5.582   6.477
  541   1HB   LYS  72          1HB       LYS  72 121.619  -4.281   5.977
  542   2HB   LYS  72          2HB       LYS  72 120.639  -2.878   5.578
  543   1HG   LYS  72          1HG       LYS  72 120.039  -3.798   8.237
  544   2HG   LYS  72          2HG       LYS  72 121.774  -3.518   8.047
  545   1HD   LYS  72          1HD       LYS  72 121.260  -1.376   8.494
  546   2HD   LYS  72          2HD       LYS  72 120.726  -1.325   6.813
  547   1HE   LYS  72          1HE       LYS  72 119.065  -0.409   8.414
  548   2HE   LYS  72          2HE       LYS  72 118.455  -1.762   7.462
  549   1HZ   LYS  72          1HZ       LYS  72 118.321  -3.092   9.267
  550   2HZ   LYS  72          2HZ       LYS  72 118.163  -1.615  10.077
  551   3HZ   LYS  72          3HZ       LYS  72 119.660  -2.401  10.037
  552    H    ALA  73           H        ALA  73 117.837  -3.564   4.439
  553    HA   ALA  73           HA       ALA  73 116.261  -2.298   6.512
  554   1HB   ALA  73          1HB       ALA  73 116.509  -2.116   3.563
  555   2HB   ALA  73          2HB       ALA  73 116.430  -0.832   4.769
  556   3HB   ALA  73          3HB       ALA  73 114.958  -1.670   4.272
  557    H    GLU  74           H        GLU  74 116.381  -5.347   5.508
  558    HA   GLU  74           HA       GLU  74 114.965  -7.113   5.576
  559   1HB   GLU  74          1HB       GLU  74 113.352  -5.004   6.944
  560   2HB   GLU  74          2HB       GLU  74 112.573  -6.511   6.507
  561   1HG   GLU  74          1HG       GLU  74 113.316  -7.336   8.420
  562   2HG   GLU  74          2HG       GLU  74 114.935  -7.296   7.722
  563    H    LEU  75           H        LEU  75 114.869  -4.823   3.396
  564    HA   LEU  75           HA       LEU  75 112.602  -6.014   1.993
  565   1HB   LEU  75          1HB       LEU  75 112.844  -3.517   0.840
  566   2HB   LEU  75          2HB       LEU  75 111.573  -4.059   1.924
  567    HG   LEU  75           HG       LEU  75 113.742  -3.180   3.504
  568   1HD1  LEU  75          1HD1      LEU  75 113.170  -1.447   1.134
  569   2HD1  LEU  75          2HD1      LEU  75 114.722  -1.855   1.873
  570   3HD1  LEU  75          3HD1      LEU  75 113.625  -0.735   2.687
  571   1HD2  LEU  75          1HD2      LEU  75 111.725  -2.860   4.490
  572   2HD2  LEU  75          2HD2      LEU  75 110.923  -2.478   2.965
  573   3HD2  LEU  75          3HD2      LEU  75 111.903  -1.256   3.777
  574    H    PHE  76           H        PHE  76 114.471  -7.427   1.373
  575    HA   PHE  76           HA       PHE  76 115.295  -6.585  -1.292
  576   1HB   PHE  76          1HB       PHE  76 117.270  -6.025  -0.023
  577   2HB   PHE  76          2HB       PHE  76 117.272  -7.602   0.764
  578    HD1  PHE  76           HD1      PHE  76 117.703  -9.643  -0.647
  579    HD2  PHE  76           HD2      PHE  76 118.316  -5.685  -2.084
  580    HE1  PHE  76           HE1      PHE  76 119.135 -10.521  -2.444
  581    HE2  PHE  76           HE2      PHE  76 119.748  -6.555  -3.884
  582    HZ   PHE  76           HZ       PHE  76 120.159  -8.977  -4.066
  Start of MODEL    7
    1    HT1  PRO   9           HT1      PRO   9 101.080  14.317  -8.770
    2    HT2  PRO   9           HT2      PRO   9 101.661  12.818  -8.414
    3    HA   PRO   9           HA       PRO   9 103.008  14.991  -8.862
    4   1HB   PRO   9          1HB       PRO   9 103.869  14.575  -6.121
    5   2HB   PRO   9          2HB       PRO   9 103.453  16.084  -6.945
    6   1HG   PRO   9          1HG       PRO   9 101.902  14.977  -5.003
    7   2HG   PRO   9          2HG       PRO   9 101.255  15.977  -6.315
    8   1HD   PRO   9          1HD       PRO   9 101.303  12.985  -6.058
    9   2HD   PRO   9          2HD       PRO   9  99.985  14.042  -6.604
   10    H    GLY  10           H        GLY  10 103.058  12.123  -6.750
   11   1HA   GLY  10          1HA       GLY  10 105.257  11.055  -8.378
   12   2HA   GLY  10          2HA       GLY  10 105.477  11.162  -6.638
   13    H    LEU  11           H        LEU  11 105.264   9.281  -5.711
   14    HA   LEU  11           HA       LEU  11 103.196   7.445  -6.708
   15   1HB   LEU  11          1HB       LEU  11 104.903   5.821  -5.356
   16   2HB   LEU  11          2HB       LEU  11 104.899   6.054  -7.094
   17    HG   LEU  11           HG       LEU  11 106.564   8.036  -6.443
   18   1HD1  LEU  11          1HD1      LEU  11 106.708   6.084  -4.169
   19   2HD1  LEU  11          2HD1      LEU  11 106.581   7.843  -4.106
   20   3HD1  LEU  11          3HD1      LEU  11 108.082   7.085  -4.638
   21   1HD2  LEU  11          1HD2      LEU  11 108.278   6.695  -7.226
   22   2HD2  LEU  11          2HD2      LEU  11 106.843   5.888  -7.858
   23   3HD2  LEU  11          3HD2      LEU  11 107.654   5.253  -6.425
   24    H    GLN  12           H        GLN  12 102.394   5.901  -5.040
   25    HA   GLN  12           HA       GLN  12 101.573   7.386  -2.726
   26   1HB   GLN  12          1HB       GLN  12 100.656   4.859  -2.234
   27   2HB   GLN  12          2HB       GLN  12  99.788   6.086  -3.141
   28   1HG   GLN  12          1HG       GLN  12 101.661   4.226  -4.540
   29   2HG   GLN  12          2HG       GLN  12 100.036   3.701  -4.101
   30   1HE2  GLN  12          1HE2      GLN  12 100.313   3.558  -6.614
   31   2HE2  GLN  12          2HE2      GLN  12  99.659   4.902  -7.480
   32    H    ILE  13           H        ILE  13 102.467   7.433  -0.803
   33    HA   ILE  13           HA       ILE  13 104.636   5.559  -0.195
   34    HB   ILE  13           HB       ILE  13 103.917   8.069   1.310
   35   1HG1  ILE  13          1HG1      ILE  13 104.471   8.382  -1.182
   36   2HG1  ILE  13          2HG1      ILE  13 105.404   9.318  -0.018
   37   1HG2  ILE  13          1HG2      ILE  13 106.304   7.926   2.008
   38   2HG2  ILE  13          2HG2      ILE  13 106.386   6.350   1.222
   39   3HG2  ILE  13          3HG2      ILE  13 105.299   6.598   2.589
   40   1HD1  ILE  13          1HD1      ILE  13 106.292   6.804  -1.410
   41   2HD1  ILE  13          2HD1      ILE  13 107.223   7.680  -0.194
   42   3HD1  ILE  13          3HD1      ILE  13 106.846   8.447  -1.738
   43    H    TYR  14           H        TYR  14 104.325   3.956   1.230
   44    HA   TYR  14           HA       TYR  14 102.113   4.222   3.165
   45   1HB   TYR  14          1HB       TYR  14 102.947   1.480   2.473
   46   2HB   TYR  14          2HB       TYR  14 101.330   2.146   2.696
   47    HD1  TYR  14           HD1      TYR  14 104.140   1.965   0.275
   48    HD2  TYR  14           HD2      TYR  14  99.972   2.599   0.835
   49    HE1  TYR  14           HE1      TYR  14 103.813   1.910  -2.160
   50    HE2  TYR  14           HE2      TYR  14  99.633   2.549  -1.601
   51    HH   TYR  14           HH       TYR  14 100.679   1.773  -3.590
   52    HA   PRO  15           HA       PRO  15 104.657   3.155   6.610
   53   1HB   PRO  15          1HB       PRO  15 103.408   0.474   6.897
   54   2HB   PRO  15          2HB       PRO  15 103.536   1.790   8.074
   55   1HG   PRO  15          1HG       PRO  15 101.214   1.244   6.882
   56   2HG   PRO  15          2HG       PRO  15 101.703   2.917   7.210
   57   1HD   PRO  15          1HD       PRO  15 101.744   1.397   4.635
   58   2HD   PRO  15          2HD       PRO  15 101.335   3.101   4.935
   59    H    TYR  16           H        TYR  16 106.316   1.609   7.445
   60    HA   TYR  16           HA       TYR  16 107.742   0.450   5.219
   61   1HB   TYR  16          1HB       TYR  16 109.151   1.662   6.627
   62   2HB   TYR  16          2HB       TYR  16 108.383   1.047   8.089
   63    HD1  TYR  16           HD1      TYR  16 109.076  -0.982   9.080
   64    HD2  TYR  16           HD2      TYR  16 110.760   0.261   5.386
   65    HE1  TYR  16           HE1      TYR  16 110.838  -2.689   9.318
   66    HE2  TYR  16           HE2      TYR  16 112.528  -1.436   5.594
   67    HH   TYR  16           HH       TYR  16 112.412  -3.902   8.023
   68    H    GLU  17           H        GLU  17 106.775  -0.734   8.450
   69    HA   GLU  17           HA       GLU  17 107.405  -3.396   8.183
   70   1HB   GLU  17          1HB       GLU  17 105.148  -2.028   9.635
   71   2HB   GLU  17          2HB       GLU  17 105.339  -3.775   9.697
   72   1HG   GLU  17          1HG       GLU  17 107.862  -2.631  10.256
   73   2HG   GLU  17          2HG       GLU  17 106.659  -1.773  11.224
   74    H    MET  18           H        MET  18 104.764  -1.668   6.694
   75    HA   MET  18           HA       MET  18 103.481  -4.117   5.787
   76   1HB   MET  18          1HB       MET  18 102.857  -1.192   5.577
   77   2HB   MET  18          2HB       MET  18 102.085  -2.323   4.475
   78   1HG   MET  18          1HG       MET  18 101.988  -3.090   7.304
   79   2HG   MET  18          2HG       MET  18 101.107  -1.615   6.893
   80   1HE   MET  18          1HE       MET  18 100.127  -5.905   6.080
   81   2HE   MET  18          2HE       MET  18 101.652  -5.212   6.631
   82   3HE   MET  18          3HE       MET  18 101.326  -5.367   4.905
   83    H    LEU  19           H        LEU  19 105.605  -1.618   4.639
   84    HA   LEU  19           HA       LEU  19 105.464  -2.411   1.874
   85   1HB   LEU  19          1HB       LEU  19 106.912  -0.360   3.468
   86   2HB   LEU  19          2HB       LEU  19 107.537  -0.775   1.881
   87    HG   LEU  19           HG       LEU  19 104.761   0.259   2.464
   88   1HD1  LEU  19          1HD1      LEU  19 105.439   2.347   1.760
   89   2HD1  LEU  19          2HD1      LEU  19 106.851   1.719   0.911
   90   3HD1  LEU  19          3HD1      LEU  19 106.845   1.801   2.673
   91   1HD2  LEU  19          1HD2      LEU  19 105.929  -1.073   0.188
   92   2HD2  LEU  19          2HD2      LEU  19 105.358   0.542  -0.231
   93   3HD2  LEU  19          3HD2      LEU  19 104.251  -0.624   0.495
   94    H    VAL  20           H        VAL  20 107.025  -3.660   4.566
   95    HA   VAL  20           HA       VAL  20 109.596  -4.240   3.616
   96    HB   VAL  20           HB       VAL  20 108.038  -6.056   5.450
   97   1HG1  VAL  20          1HG1      VAL  20 110.421  -5.974   6.531
   98   2HG1  VAL  20          2HG1      VAL  20 110.908  -5.521   4.898
   99   3HG1  VAL  20          3HG1      VAL  20 110.082  -7.054   5.176
  100   1HG2  VAL  20          1HG2      VAL  20 107.616  -4.015   6.424
  101   2HG2  VAL  20          2HG2      VAL  20 109.164  -3.337   5.941
  102   3HG2  VAL  20          3HG2      VAL  20 109.088  -4.524   7.242
  103    H    VAL  21           H        VAL  21 110.360  -6.574   3.115
  104    HA   VAL  21           HA       VAL  21 108.623  -7.526   0.958
  105    HB   VAL  21           HB       VAL  21 111.531  -8.146   1.436
  106   1HG1  VAL  21          1HG1      VAL  21 109.572  -8.865  -0.667
  107   2HG1  VAL  21          2HG1      VAL  21 110.939  -9.778  -0.026
  108   3HG1  VAL  21          3HG1      VAL  21 111.213  -8.475  -1.183
  109   1HG2  VAL  21          1HG2      VAL  21 110.424  -6.166  -0.533
  110   2HG2  VAL  21          2HG2      VAL  21 112.104  -6.418  -0.068
  111   3HG2  VAL  21          3HG2      VAL  21 110.970  -5.707   1.080
  112    H    THR  22           H        THR  22 111.002  -9.198   3.055
  113    HA   THR  22           HA       THR  22 109.212 -11.526   3.009
  114    HB   THR  22           HB       THR  22 112.180 -11.297   3.477
  115    HG1  THR  22           HG1      THR  22 112.236 -11.679   1.436
  116   1HG2  THR  22          1HG2      THR  22 111.974 -13.158   4.713
  117   2HG2  THR  22          2HG2      THR  22 111.776 -13.940   3.145
  118   3HG2  THR  22          3HG2      THR  22 110.358 -13.513   4.103
  119    H    ASN  23           H        ASN  23 111.567 -10.142   5.261
  120    HA   ASN  23           HA       ASN  23 111.145 -11.372   7.554
  121   1HB   ASN  23          1HB       ASN  23 111.254  -8.365   7.312
  122   2HB   ASN  23          2HB       ASN  23 111.650  -9.300   8.758
  123   1HD2  ASN  23          1HD2      ASN  23 112.618  -8.491   5.503
  124   2HD2  ASN  23          2HD2      ASN  23 114.254  -9.030   5.649
  125    H    LYS  24           H        LYS  24 108.755  -9.159   6.195
  126    HA   LYS  24           HA       LYS  24 107.102  -9.508   8.586
  127   1HB   LYS  24          1HB       LYS  24 107.270  -7.483   6.447
  128   2HB   LYS  24          2HB       LYS  24 105.648  -7.828   7.044
  129   1HG   LYS  24          1HG       LYS  24 106.302  -6.117   8.428
  130   2HG   LYS  24          2HG       LYS  24 106.743  -7.532   9.386
  131   1HD   LYS  24          1HD       LYS  24 108.760  -6.402   7.515
  132   2HD   LYS  24          2HD       LYS  24 108.433  -5.534   9.015
  133   1HE   LYS  24          1HE       LYS  24 108.798  -8.429   9.322
  134   2HE   LYS  24          2HE       LYS  24 110.224  -7.567   8.743
  135   1HZ   LYS  24          1HZ       LYS  24 109.597  -7.819  11.315
  136   2HZ   LYS  24          2HZ       LYS  24 108.830  -6.348  10.981
  137   3HZ   LYS  24          3HZ       LYS  24 110.489  -6.519  10.700
  138    H    GLY  25           H        GLY  25 107.520 -11.655   6.596
  139   1HA   GLY  25          1HA       GLY  25 105.810 -13.365   6.331
  140   2HA   GLY  25          2HA       GLY  25 104.674 -12.085   5.933
  141    H    ARG  26           H        ARG  26 104.734 -11.130   3.880
  142    HA   ARG  26           HA       ARG  26 106.542 -12.262   1.906
  143   1HB   ARG  26          1HB       ARG  26 103.591 -12.245   1.333
  144   2HB   ARG  26          2HB       ARG  26 104.871 -13.107   0.507
  145   1HG   ARG  26          1HG       ARG  26 103.879 -14.822   1.636
  146   2HG   ARG  26          2HG       ARG  26 105.121 -14.346   2.793
  147   1HD   ARG  26          1HD       ARG  26 103.371 -12.859   3.859
  148   2HD   ARG  26          2HD       ARG  26 102.186 -13.674   2.842
  149    HE   ARG  26           HE       ARG  26 103.379 -14.679   5.223
  150   1HH1  ARG  26          1HH1      ARG  26 102.129 -15.653   2.114
  151   2HH1  ARG  26          2HH1      ARG  26 101.746 -17.260   2.632
  152   1HH2  ARG  26          1HH2      ARG  26 102.878 -16.791   5.906
  153   2HH2  ARG  26          2HH2      ARG  26 102.171 -17.907   4.784
  154    H    THR  27           H        THR  27 104.901 -11.158  -0.295
  155    HA   THR  27           HA       THR  27 105.902  -8.523  -0.169
  156    HB   THR  27           HB       THR  27 105.577  -9.821  -2.288
  157    HG1  THR  27           HG1      THR  27 105.868  -7.858  -2.938
  158   1HG2  THR  27          1HG2      THR  27 103.245 -10.586  -1.815
  159   2HG2  THR  27          2HG2      THR  27 103.504  -9.888  -3.412
  160   3HG2  THR  27          3HG2      THR  27 102.713  -8.938  -2.155
  161    H    LYS  28           H        LYS  28 102.498  -9.615  -0.310
  162    HA   LYS  28           HA       LYS  28 100.571  -8.514   0.268
  163   1HB   LYS  28          1HB       LYS  28 102.326  -8.214   2.693
  164   2HB   LYS  28          2HB       LYS  28 100.573  -8.033   2.695
  165   1HG   LYS  28          1HG       LYS  28 100.427 -10.193   3.115
  166   2HG   LYS  28          2HG       LYS  28 101.049 -10.490   1.487
  167   1HD   LYS  28          1HD       LYS  28 102.570 -11.637   2.750
  168   2HD   LYS  28          2HD       LYS  28 103.365 -10.066   2.626
  169   1HE   LYS  28          1HE       LYS  28 101.499 -10.554   4.900
  170   2HE   LYS  28          2HE       LYS  28 103.096 -11.296   4.954
  171   1HZ   LYS  28          1HZ       LYS  28 103.771  -8.835   4.288
  172   2HZ   LYS  28          2HZ       LYS  28 103.601  -9.322   5.898
  173   3HZ   LYS  28          3HZ       LYS  28 102.346  -8.487   5.132
  174    H    LEU  29           H        LEU  29 102.674  -6.700  -0.953
  175    HA   LEU  29           HA       LEU  29 102.746  -4.232   0.303
  176   1HB   LEU  29          1HB       LEU  29 103.075  -5.241  -2.453
  177   2HB   LEU  29          2HB       LEU  29 102.804  -3.523  -2.279
  178    HG   LEU  29           HG       LEU  29 105.111  -3.770  -2.386
  179   1HD1  LEU  29          1HD1      LEU  29 105.937  -3.101  -0.193
  180   2HD1  LEU  29          2HD1      LEU  29 104.444  -3.658   0.550
  181   3HD1  LEU  29          3HD1      LEU  29 104.418  -2.298  -0.571
  182   1HD2  LEU  29          1HD2      LEU  29 105.969  -5.438  -0.365
  183   2HD2  LEU  29          2HD2      LEU  29 105.935  -5.806  -2.089
  184   3HD2  LEU  29          3HD2      LEU  29 104.587  -6.281  -1.060
  185    HA   PRO  30           HA       PRO  30  98.651  -2.553  -0.074
  186   1HB   PRO  30          1HB       PRO  30  99.402   0.095  -0.416
  187   2HB   PRO  30          2HB       PRO  30  99.246  -0.705   1.152
  188   1HG   PRO  30          1HG       PRO  30 101.693  -0.172  -0.479
  189   2HG   PRO  30          2HG       PRO  30 101.470  -0.076   1.280
  190   1HD   PRO  30          1HD       PRO  30 102.717  -2.164   0.130
  191   2HD   PRO  30          2HD       PRO  30 101.681  -2.366   1.559
  192    HA   PRO  31           HA       PRO  31  97.961  -1.744  -4.377
  193   1HB   PRO  31          1HB       PRO  31  96.719   0.883  -4.126
  194   2HB   PRO  31          2HB       PRO  31  95.971  -0.672  -4.508
  195   1HG   PRO  31          1HG       PRO  31  95.550   0.632  -2.163
  196   2HG   PRO  31          2HG       PRO  31  95.503  -1.134  -2.309
  197   1HD   PRO  31          1HD       PRO  31  97.698   0.627  -1.278
  198   2HD   PRO  31          2HD       PRO  31  97.116  -0.932  -0.652
  199    H    GLY  32           H        GLY  32  99.857  -1.422  -5.480
  200   1HA   GLY  32          1HA       GLY  32 100.891   0.110  -7.038
  201   2HA   GLY  32          2HA       GLY  32 100.651   1.391  -5.866
  202    H    VAL  33           H        VAL  33 102.106  -1.842  -5.400
  203    HA   VAL  33           HA       VAL  33 104.704  -0.567  -4.984
  204    HB   VAL  33           HB       VAL  33 104.264  -2.649  -3.051
  205   1HG1  VAL  33          1HG1      VAL  33 106.094  -0.829  -3.366
  206   2HG1  VAL  33          2HG1      VAL  33 105.615  -1.334  -1.748
  207   3HG1  VAL  33          3HG1      VAL  33 104.982   0.164  -2.427
  208   1HG2  VAL  33          1HG2      VAL  33 102.010  -1.781  -2.964
  209   2HG2  VAL  33          2HG2      VAL  33 102.627  -0.138  -2.796
  210   3HG2  VAL  33          3HG2      VAL  33 102.897  -1.321  -1.515
  211    H    ASP  34           H        ASP  34 106.433  -1.704  -5.557
  212    HA   ASP  34           HA       ASP  34 106.156  -4.542  -6.189
  213   1HB   ASP  34          1HB       ASP  34 105.720  -3.131  -8.266
  214   2HB   ASP  34          2HB       ASP  34 107.407  -2.625  -8.162
  215    H    ARG  35           H        ARG  35 108.065  -5.700  -6.007
  216    HA   ARG  35           HA       ARG  35 109.963  -4.829  -4.193
  217   1HB   ARG  35          1HB       ARG  35 109.757  -7.093  -6.093
  218   2HB   ARG  35          2HB       ARG  35 111.362  -6.741  -5.467
  219   1HG   ARG  35          1HG       ARG  35 110.250  -8.426  -4.120
  220   2HG   ARG  35          2HG       ARG  35 110.528  -6.953  -3.183
  221   1HD   ARG  35          1HD       ARG  35 108.353  -7.420  -2.615
  222   2HD   ARG  35          2HD       ARG  35 108.111  -6.350  -3.994
  223    HE   ARG  35           HE       ARG  35 107.132  -8.086  -5.091
  224   1HH1  ARG  35          1HH1      ARG  35 109.130  -9.395  -2.548
  225   2HH1  ARG  35          2HH1      ARG  35 108.629 -11.030  -2.823
  226   1HH2  ARG  35          1HH2      ARG  35 106.468 -10.237  -5.453
  227   2HH2  ARG  35          2HH2      ARG  35 107.117 -11.508  -4.472
  228    H    MET  36           H        MET  36 109.785  -4.197  -7.579
  229    HA   MET  36           HA       MET  36 112.488  -3.755  -8.159
  230   1HB   MET  36          1HB       MET  36 109.911  -3.137  -9.393
  231   2HB   MET  36          2HB       MET  36 111.150  -1.941  -9.745
  232   1HG   MET  36          1HG       MET  36 112.564  -4.147 -10.225
  233   2HG   MET  36          2HG       MET  36 110.948  -4.769 -10.573
  234   1HE   MET  36          1HE       MET  36 113.169  -3.777 -13.804
  235   2HE   MET  36          2HE       MET  36 113.439  -4.619 -12.277
  236   3HE   MET  36          3HE       MET  36 113.962  -2.945 -12.466
  237    H    ARG  37           H        ARG  37 110.018  -1.555  -6.864
  238    HA   ARG  37           HA       ARG  37 112.197   0.272  -6.109
  239   1HB   ARG  37          1HB       ARG  37 110.289   2.082  -6.472
  240   2HB   ARG  37          2HB       ARG  37 111.361   1.587  -7.770
  241   1HG   ARG  37          1HG       ARG  37 108.722   0.239  -7.337
  242   2HG   ARG  37          2HG       ARG  37 108.852   1.742  -8.252
  243   1HD   ARG  37          1HD       ARG  37 110.866   0.069  -9.248
  244   2HD   ARG  37          2HD       ARG  37 109.444  -0.956  -9.064
  245    HE   ARG  37           HE       ARG  37 108.425   0.194 -10.767
  246   1HH1  ARG  37          1HH1      ARG  37 111.251   1.958  -9.724
  247   2HH1  ARG  37          2HH1      ARG  37 111.186   3.084 -11.037
  248   1HH2  ARG  37          1HH2      ARG  37 108.339   1.676 -12.494
  249   2HH2  ARG  37          2HH2      ARG  37 109.533   2.926 -12.609
  250    H    LEU  38           H        LEU  38 111.095  -1.653  -4.404
  251    HA   LEU  38           HA       LEU  38 108.986  -0.681  -2.832
  252   1HB   LEU  38          1HB       LEU  38 111.030  -2.792  -2.602
  253   2HB   LEU  38          2HB       LEU  38 110.364  -2.212  -1.080
  254    HG   LEU  38           HG       LEU  38 108.709  -3.239  -3.389
  255   1HD1  LEU  38          1HD1      LEU  38 110.196  -4.923  -2.177
  256   2HD1  LEU  38          2HD1      LEU  38 108.470  -5.274  -2.254
  257   3HD1  LEU  38          3HD1      LEU  38 109.173  -4.632  -0.771
  258   1HD2  LEU  38          1HD2      LEU  38 107.864  -2.763  -0.552
  259   2HD2  LEU  38          2HD2      LEU  38 106.855  -3.057  -1.968
  260   3HD2  LEU  38          3HD2      LEU  38 107.725  -1.533  -1.807
  261    H    GLU  39           H        GLU  39 112.502  -0.302  -2.521
  262    HA   GLU  39           HA       GLU  39 112.336   1.204  -0.122
  263   1HB   GLU  39          1HB       GLU  39 114.708   1.678  -0.469
  264   2HB   GLU  39          2HB       GLU  39 114.358  -0.032  -0.671
  265   1HG   GLU  39          1HG       GLU  39 115.840   0.494  -2.382
  266   2HG   GLU  39          2HG       GLU  39 114.259   0.435  -3.158
  267    H    ARG  40           H        ARG  40 110.914   2.056  -2.760
  268    HA   ARG  40           HA       ARG  40 111.827   4.854  -2.686
  269   1HB   ARG  40          1HB       ARG  40 112.257   3.854  -4.856
  270   2HB   ARG  40          2HB       ARG  40 110.599   3.282  -4.954
  271   1HG   ARG  40          1HG       ARG  40 110.091   5.137  -6.044
  272   2HG   ARG  40          2HG       ARG  40 110.402   6.039  -4.561
  273   1HD   ARG  40          1HD       ARG  40 112.665   5.285  -6.362
  274   2HD   ARG  40          2HD       ARG  40 111.652   6.676  -6.750
  275    HE   ARG  40           HE       ARG  40 113.687   6.572  -4.792
  276   1HH1  ARG  40          1HH1      ARG  40 110.496   7.876  -5.341
  277   2HH1  ARG  40          2HH1      ARG  40 110.725   9.218  -4.270
  278   1HH2  ARG  40          1HH2      ARG  40 113.989   8.337  -3.384
  279   2HH2  ARG  40          2HH2      ARG  40 112.707   9.480  -3.161
  280    H    HIS  41           H        HIS  41 109.364   2.643  -2.076
  281    HA   HIS  41           HA       HIS  41 107.181   4.538  -2.265
  282   1HB   HIS  41          1HB       HIS  41 107.449   1.610  -1.662
  283   2HB   HIS  41          2HB       HIS  41 105.961   2.463  -1.278
  284    HD1  HIS  41           HD1      HIS  41 104.977   3.857  -3.495
  285    HD2  HIS  41           HD2      HIS  41 107.453   0.586  -4.150
  286    HE1  HIS  41           HE1      HIS  41 104.560   3.162  -5.874
  287    HE2  HIS  41           HE2      HIS  41 105.989   1.118  -6.214
  288    H    LEU  42           H        LEU  42 109.586   3.974  -0.099
  289    HA   LEU  42           HA       LEU  42 108.055   4.128   2.333
  290   1HB   LEU  42          1HB       LEU  42 111.011   4.252   1.753
  291   2HB   LEU  42          2HB       LEU  42 110.322   4.286   3.371
  292    HG   LEU  42           HG       LEU  42 109.437   2.025   1.715
  293   1HD1  LEU  42          1HD1      LEU  42 111.383   0.898   1.466
  294   2HD1  LEU  42          2HD1      LEU  42 112.154   1.696   2.840
  295   3HD1  LEU  42          3HD1      LEU  42 112.005   2.542   1.293
  296   1HD2  LEU  42          1HD2      LEU  42 109.766   0.842   3.791
  297   2HD2  LEU  42          2HD2      LEU  42 108.875   2.338   4.072
  298   3HD2  LEU  42          3HD2      LEU  42 110.587   2.242   4.481
  299    H    SER  43           H        SER  43 107.942   5.879   3.712
  300    HA   SER  43           HA       SER  43 108.154   8.461   2.452
  301   1HB   SER  43          1HB       SER  43 107.506   8.996   5.058
  302   2HB   SER  43          2HB       SER  43 106.333   8.637   3.786
  303    HG   SER  43           HG       SER  43 106.612   7.319   5.972
  304    H    ALA  44           H        ALA  44 109.216  10.294   3.563
  305    HA   ALA  44           HA       ALA  44 111.928   9.967   3.821
  306   1HB   ALA  44          1HB       ALA  44 110.222  12.062   5.166
  307   2HB   ALA  44          2HB       ALA  44 110.904  12.151   3.542
  308   3HB   ALA  44          3HB       ALA  44 111.970  12.156   4.948
  309    H    GLU  45           H        GLU  45 109.470   9.460   6.229
  310    HA   GLU  45           HA       GLU  45 111.293   9.308   8.447
  311   1HB   GLU  45          1HB       GLU  45 109.116   7.968   9.346
  312   2HB   GLU  45          2HB       GLU  45 109.276   9.716   9.390
  313   1HG   GLU  45          1HG       GLU  45 107.865  10.014   7.563
  314   2HG   GLU  45          2HG       GLU  45 108.035   8.340   7.041
  315    H    ASP  46           H        ASP  46 109.315   6.915   6.731
  316    HA   ASP  46           HA       ASP  46 110.369   4.631   7.905
  317   1HB   ASP  46          1HB       ASP  46 109.191   5.073   5.160
  318   2HB   ASP  46          2HB       ASP  46 109.617   3.476   5.778
  319    H    PHE  47           H        PHE  47 111.415   6.296   4.931
  320    HA   PHE  47           HA       PHE  47 113.436   4.502   4.233
  321   1HB   PHE  47          1HB       PHE  47 112.401   6.533   2.945
  322   2HB   PHE  47          2HB       PHE  47 113.724   7.432   3.694
  323    HD1  PHE  47           HD1      PHE  47 113.080   4.325   1.769
  324    HD2  PHE  47           HD2      PHE  47 115.759   7.513   2.630
  325    HE1  PHE  47           HE1      PHE  47 114.624   3.507   0.023
  326    HE2  PHE  47           HE2      PHE  47 117.300   6.706   0.886
  327    HZ   PHE  47           HZ       PHE  47 116.726   4.703  -0.422
  328    H    SER  48           H        SER  48 113.935   7.738   5.643
  329    HA   SER  48           HA       SER  48 116.610   7.369   6.295
  330   1HB   SER  48          1HB       SER  48 114.491   9.204   7.391
  331   2HB   SER  48          2HB       SER  48 116.138   9.232   8.017
  332    HG   SER  48           HG       SER  48 115.569   9.453   5.257
  333    H    ARG  49           H        ARG  49 113.829   6.061   7.824
  334    HA   ARG  49           HA       ARG  49 115.137   5.671  10.380
  335   1HB   ARG  49          1HB       ARG  49 112.731   6.129  10.313
  336   2HB   ARG  49          2HB       ARG  49 112.472   4.674   9.359
  337   1HG   ARG  49          1HG       ARG  49 111.877   4.133  11.572
  338   2HG   ARG  49          2HG       ARG  49 113.445   3.377  11.285
  339   1HD   ARG  49          1HD       ARG  49 113.717   6.074  12.314
  340   2HD   ARG  49          2HD       ARG  49 112.767   5.051  13.395
  341    HE   ARG  49           HE       ARG  49 115.580   4.789  12.757
  342   1HH1  ARG  49          1HH1      ARG  49 112.750   3.272  14.132
  343   2HH1  ARG  49          2HH1      ARG  49 113.664   2.144  15.076
  344   1HH2  ARG  49          1HH2      ARG  49 116.777   3.303  13.997
  345   2HH2  ARG  49          2HH2      ARG  49 115.947   2.161  15.000
  346    H    VAL  50           H        VAL  50 114.492   3.867   7.462
  347    HA   VAL  50           HA       VAL  50 115.418   1.384   8.692
  348    HB   VAL  50           HB       VAL  50 114.506   1.781   5.844
  349   1HG1  VAL  50          1HG1      VAL  50 115.892  -0.259   6.588
  350   2HG1  VAL  50          2HG1      VAL  50 114.409  -0.535   5.674
  351   3HG1  VAL  50          3HG1      VAL  50 114.423  -0.763   7.422
  352   1HG2  VAL  50          1HG2      VAL  50 112.341   1.532   6.411
  353   2HG2  VAL  50          2HG2      VAL  50 112.882   2.221   7.943
  354   3HG2  VAL  50          3HG2      VAL  50 112.705   0.475   7.774
  355    H    PHE  51           H        PHE  51 116.274   3.563   6.014
  356    HA   PHE  51           HA       PHE  51 118.761   2.082   5.622
  357   1HB   PHE  51          1HB       PHE  51 117.522   4.328   4.027
  358   2HB   PHE  51          2HB       PHE  51 119.023   3.505   3.611
  359    HD1  PHE  51           HD1      PHE  51 115.760   3.724   2.725
  360    HD2  PHE  51           HD2      PHE  51 118.633   0.768   3.750
  361    HE1  PHE  51           HE1      PHE  51 114.491   2.053   1.428
  362    HE2  PHE  51           HE2      PHE  51 117.369  -0.907   2.460
  363    HZ   PHE  51           HZ       PHE  51 115.303  -0.263   1.298
  364    H    ALA  52           H        ALA  52 117.617   5.216   6.717
  365    HA   ALA  52           HA       ALA  52 118.679   6.810   7.985
  366   1HB   ALA  52          1HB       ALA  52 121.282   5.358   7.744
  367   2HB   ALA  52          2HB       ALA  52 120.017   4.773   8.826
  368   3HB   ALA  52          3HB       ALA  52 120.699   6.384   9.054
  369    H    MET  53           H        MET  53 118.855   6.360   4.922
  370    HA   MET  53           HA       MET  53 120.707   8.587   4.414
  371   1HB   MET  53          1HB       MET  53 120.782   7.206   2.069
  372   2HB   MET  53          2HB       MET  53 122.009   7.129   3.329
  373   1HG   MET  53          1HG       MET  53 121.376   5.060   4.024
  374   2HG   MET  53          2HG       MET  53 119.692   5.293   3.548
  375   1HE   MET  53          1HE       MET  53 119.067   5.722   1.109
  376   2HE   MET  53          2HE       MET  53 119.773   4.846  -0.250
  377   3HE   MET  53          3HE       MET  53 120.503   6.351   0.298
  378    H    SER  54           H        SER  54 120.254   9.724   2.407
  379    HA   SER  54           HA       SER  54 117.519  10.462   2.306
  380   1HB   SER  54          1HB       SER  54 119.455  11.999   1.930
  381   2HB   SER  54          2HB       SER  54 119.733  11.194   0.380
  382    HG   SER  54           HG       SER  54 118.051  12.194  -0.444
  383    HA   PRO  55           HA       PRO  55 115.796   7.680  -0.697
  384   1HB   PRO  55          1HB       PRO  55 114.553  10.173  -1.774
  385   2HB   PRO  55          2HB       PRO  55 113.795   8.630  -1.362
  386   1HG   PRO  55          1HG       PRO  55 113.540  10.745   0.242
  387   2HG   PRO  55          2HG       PRO  55 113.734   9.110   0.906
  388   1HD   PRO  55          1HD       PRO  55 115.701  11.344   0.758
  389   2HD   PRO  55          2HD       PRO  55 115.523  10.071   1.985
  390    H    GLU  56           H        GLU  56 117.312  10.715  -1.533
  391    HA   GLU  56           HA       GLU  56 117.733  10.012  -4.297
  392   1HB   GLU  56          1HB       GLU  56 118.756  12.122  -4.531
  393   2HB   GLU  56          2HB       GLU  56 117.473  12.382  -3.353
  394   1HG   GLU  56          1HG       GLU  56 119.527  11.796  -1.708
  395   2HG   GLU  56          2HG       GLU  56 120.394  12.550  -3.049
  396    H    GLU  57           H        GLU  57 119.464   9.868  -1.262
  397    HA   GLU  57           HA       GLU  57 122.055   9.436  -2.166
  398   1HB   GLU  57          1HB       GLU  57 120.586   8.895   0.352
  399   2HB   GLU  57          2HB       GLU  57 121.933   7.808   0.043
  400   1HG   GLU  57          1HG       GLU  57 123.011  10.255  -0.534
  401   2HG   GLU  57          2HG       GLU  57 121.928  10.610   0.812
  402    H    PHE  58           H        PHE  58 119.526   7.009  -1.470
  403    HA   PHE  58           HA       PHE  58 120.810   4.661  -2.085
  404   1HB   PHE  58          1HB       PHE  58 118.231   5.353  -1.575
  405   2HB   PHE  58          2HB       PHE  58 118.108   4.962  -3.288
  406    HD1  PHE  58           HD1      PHE  58 118.785   2.664  -4.054
  407    HD2  PHE  58           HD2      PHE  58 118.340   3.669   0.058
  408    HE1  PHE  58           HE1      PHE  58 118.580   0.276  -3.490
  409    HE2  PHE  58           HE2      PHE  58 118.147   1.287   0.627
  410    HZ   PHE  58           HZ       PHE  58 118.265  -0.417  -1.146
  411    H    GLY  59           H        GLY  59 118.865   6.456  -4.495
  412   1HA   GLY  59          1HA       GLY  59 119.668   5.040  -6.734
  413   2HA   GLY  59          2HA       GLY  59 119.141   6.716  -6.761
  414    H    LYS  60           H        LYS  60 121.450   7.402  -4.929
  415    HA   LYS  60           HA       LYS  60 123.422   7.677  -7.068
  416   1HB   LYS  60          1HB       LYS  60 122.982   9.126  -4.467
  417   2HB   LYS  60          2HB       LYS  60 124.474   9.307  -5.386
  418   1HG   LYS  60          1HG       LYS  60 123.021   9.969  -7.351
  419   2HG   LYS  60          2HG       LYS  60 121.686  10.075  -6.197
  420   1HD   LYS  60          1HD       LYS  60 123.599  11.510  -4.915
  421   2HD   LYS  60          2HD       LYS  60 123.992  11.858  -6.600
  422   1HE   LYS  60          1HE       LYS  60 121.135  11.998  -5.886
  423   2HE   LYS  60          2HE       LYS  60 122.169  13.231  -5.163
  424   1HZ   LYS  60          1HZ       LYS  60 123.012  13.311  -7.676
  425   2HZ   LYS  60          2HZ       LYS  60 121.743  14.268  -7.101
  426   3HZ   LYS  60          3HZ       LYS  60 121.409  12.840  -7.942
  427    H    LEU  61           H        LEU  61 122.857   5.505  -4.672
  428    HA   LEU  61           HA       LEU  61 125.501   5.267  -3.616
  429   1HB   LEU  61          1HB       LEU  61 123.044   3.513  -3.439
  430   2HB   LEU  61          2HB       LEU  61 124.521   3.222  -2.550
  431    HG   LEU  61           HG       LEU  61 122.548   5.425  -2.176
  432   1HD1  LEU  61          1HD1      LEU  61 123.461   3.055  -0.722
  433   2HD1  LEU  61          2HD1      LEU  61 121.898   3.872  -0.709
  434   3HD1  LEU  61          3HD1      LEU  61 123.232   4.505   0.255
  435   1HD2  LEU  61          1HD2      LEU  61 124.311   6.147  -0.380
  436   2HD2  LEU  61          2HD2      LEU  61 124.430   6.738  -2.038
  437   3HD2  LEU  61          3HD2      LEU  61 125.449   5.402  -1.503
  438    H    ALA  62           H        ALA  62 125.280   2.275  -3.784
  439    HA   ALA  62           HA       ALA  62 126.085   1.906  -6.583
  440   1HB   ALA  62          1HB       ALA  62 127.439   0.534  -4.284
  441   2HB   ALA  62          2HB       ALA  62 128.013   2.057  -4.960
  442   3HB   ALA  62          3HB       ALA  62 127.958   0.608  -5.966
  443    H    LEU  63           H        LEU  63 126.190  -0.465  -7.184
  444    HA   LEU  63           HA       LEU  63 123.660  -1.640  -6.760
  445   1HB   LEU  63          1HB       LEU  63 125.250  -1.888  -8.745
  446   2HB   LEU  63          2HB       LEU  63 126.078  -3.100  -7.784
  447    HG   LEU  63           HG       LEU  63 123.244  -3.639  -7.842
  448   1HD1  LEU  63          1HD1      LEU  63 124.597  -3.096 -10.450
  449   2HD1  LEU  63          2HD1      LEU  63 122.964  -2.682  -9.925
  450   3HD1  LEU  63          3HD1      LEU  63 123.365  -4.352 -10.327
  451   1HD2  LEU  63          1HD2      LEU  63 125.476  -5.058  -7.496
  452   2HD2  LEU  63          2HD2      LEU  63 125.212  -5.372  -9.212
  453   3HD2  LEU  63          3HD2      LEU  63 123.960  -5.779  -8.038
  454    H    TRP  64           H        TRP  64 126.724  -2.043  -5.144
  455    HA   TRP  64           HA       TRP  64 125.905  -4.456  -3.791
  456   1HB   TRP  64          1HB       TRP  64 128.114  -4.083  -2.618
  457   2HB   TRP  64          2HB       TRP  64 128.226  -4.272  -4.373
  458    HD1  TRP  64           HD1      TRP  64 129.209  -2.252  -5.714
  459    HE1  TRP  64           HE1      TRP  64 130.119   0.054  -5.046
  460    HE3  TRP  64           HE3      TRP  64 127.623  -2.210  -0.981
  461    HZ2  TRP  64           HZ2      TRP  64 130.150   1.683  -2.686
  462    HZ3  TRP  64           HZ3      TRP  64 128.126  -0.242   0.455
  463    HH2  TRP  64           HH2      TRP  64 129.348   1.657  -0.394
  464    H    LYS  65           H        LYS  65 126.173  -1.036  -3.328
  465    HA   LYS  65           HA       LYS  65 125.656  -1.019  -0.519
  466   1HB   LYS  65          1HB       LYS  65 126.570   0.858  -2.198
  467   2HB   LYS  65          2HB       LYS  65 124.868   1.312  -2.184
  468   1HG   LYS  65          1HG       LYS  65 124.887   1.748   0.123
  469   2HG   LYS  65          2HG       LYS  65 126.431   0.915   0.347
  470   1HD   LYS  65          1HD       LYS  65 127.508   2.658  -1.057
  471   2HD   LYS  65          2HD       LYS  65 125.964   3.516  -1.107
  472   1HE   LYS  65          1HE       LYS  65 127.624   4.323   0.620
  473   2HE   LYS  65          2HE       LYS  65 126.008   3.928   1.222
  474   1HZ   LYS  65          1HZ       LYS  65 126.774   2.168   2.386
  475   2HZ   LYS  65          2HZ       LYS  65 128.221   3.046   2.364
  476   3HZ   LYS  65          3HZ       LYS  65 127.980   1.783   1.264
  477    H    ARG  66           H        ARG  66 123.620  -0.041  -3.287
  478    HA   ARG  66           HA       ARG  66 121.206   0.269  -2.023
  479   1HB   ARG  66          1HB       ARG  66 121.720  -0.956  -4.737
  480   2HB   ARG  66          2HB       ARG  66 120.158  -0.375  -4.183
  481   1HG   ARG  66          1HG       ARG  66 121.216   1.874  -3.869
  482   2HG   ARG  66          2HG       ARG  66 122.639   1.228  -4.688
  483   1HD   ARG  66          1HD       ARG  66 120.333   0.598  -6.239
  484   2HD   ARG  66          2HD       ARG  66 120.290   2.320  -5.830
  485    HE   ARG  66           HE       ARG  66 122.842   1.419  -6.803
  486   1HH1  ARG  66          1HH1      ARG  66 119.694   2.617  -7.716
  487   2HH1  ARG  66          2HH1      ARG  66 120.234   3.235  -9.241
  488   1HH2  ARG  66          1HH2      ARG  66 123.554   2.232  -8.807
  489   2HH2  ARG  66          2HH2      ARG  66 122.424   3.016  -9.860
  490    H    ASN  67           H        ASN  67 122.693  -2.690  -3.195
  491    HA   ASN  67           HA       ASN  67 120.581  -4.454  -2.601
  492   1HB   ASN  67          1HB       ASN  67 123.449  -4.688  -3.221
  493   2HB   ASN  67          2HB       ASN  67 122.817  -6.001  -2.226
  494   1HD2  ASN  67          1HD2      ASN  67 122.355  -4.245  -5.241
  495   2HD2  ASN  67          2HD2      ASN  67 121.595  -5.541  -6.092
  496    H    GLU  68           H        GLU  68 123.602  -4.115  -0.748
  497    HA   GLU  68           HA       GLU  68 123.002  -5.464   1.508
  498   1HB   GLU  68          1HB       GLU  68 125.103  -4.047   0.828
  499   2HB   GLU  68          2HB       GLU  68 124.337  -2.806   1.808
  500   1HG   GLU  68          1HG       GLU  68 124.629  -5.516   2.978
  501   2HG   GLU  68          2HG       GLU  68 126.074  -4.518   2.815
  502    H    LEU  69           H        LEU  69 122.053  -2.105   0.821
  503    HA   LEU  69           HA       LEU  69 120.880  -1.564   3.311
  504   1HB   LEU  69          1HB       LEU  69 119.906  -0.482   0.680
  505   2HB   LEU  69          2HB       LEU  69 119.764   0.255   2.264
  506    HG   LEU  69           HG       LEU  69 122.468  -0.285   1.238
  507   1HD1  LEU  69          1HD1      LEU  69 120.661   1.046  -0.355
  508   2HD1  LEU  69          2HD1      LEU  69 122.417   1.144  -0.460
  509   3HD1  LEU  69          3HD1      LEU  69 121.520   2.334   0.480
  510   1HD2  LEU  69          1HD2      LEU  69 122.940   1.813   2.437
  511   2HD2  LEU  69          2HD2      LEU  69 122.202   0.594   3.475
  512   3HD2  LEU  69          3HD2      LEU  69 121.231   1.930   2.856
  513    H    LYS  70           H        LYS  70 119.236  -2.330   0.273
  514    HA   LYS  70           HA       LYS  70 116.708  -2.893   1.363
  515   1HB   LYS  70          1HB       LYS  70 118.135  -3.621  -1.156
  516   2HB   LYS  70          2HB       LYS  70 116.657  -4.481  -0.762
  517   1HG   LYS  70          1HG       LYS  70 115.339  -2.605  -0.981
  518   2HG   LYS  70          2HG       LYS  70 116.687  -1.500  -0.688
  519   1HD   LYS  70          1HD       LYS  70 116.068  -1.395  -3.016
  520   2HD   LYS  70          2HD       LYS  70 117.648  -2.166  -2.872
  521   1HE   LYS  70          1HE       LYS  70 116.070  -4.335  -2.758
  522   2HE   LYS  70          2HE       LYS  70 115.058  -3.284  -3.748
  523   1HZ   LYS  70          1HZ       LYS  70 116.552  -3.288  -5.448
  524   2HZ   LYS  70          2HZ       LYS  70 116.866  -4.825  -4.816
  525   3HZ   LYS  70          3HZ       LYS  70 117.892  -3.534  -4.442
  526    H    LYS  71           H        LYS  71 119.648  -4.661   1.352
  527    HA   LYS  71           HA       LYS  71 118.504  -7.237   1.892
  528   1HB   LYS  71          1HB       LYS  71 121.316  -6.134   1.841
  529   2HB   LYS  71          2HB       LYS  71 120.964  -7.803   2.301
  530   1HG   LYS  71          1HG       LYS  71 119.684  -7.031  -0.187
  531   2HG   LYS  71          2HG       LYS  71 121.438  -6.856  -0.241
  532   1HD   LYS  71          1HD       LYS  71 120.254  -9.354   0.885
  533   2HD   LYS  71          2HD       LYS  71 120.313  -9.138  -0.864
  534   1HE   LYS  71          1HE       LYS  71 122.482  -9.623  -0.917
  535   2HE   LYS  71          2HE       LYS  71 122.834  -8.422   0.324
  536   1HZ   LYS  71          1HZ       LYS  71 122.575 -11.278   0.557
  537   2HZ   LYS  71          2HZ       LYS  71 121.711 -10.431   1.739
  538   3HZ   LYS  71          3HZ       LYS  71 123.373 -10.178   1.565
  539    H    LYS  72           H        LYS  72 119.882  -4.606   3.767
  540    HA   LYS  72           HA       LYS  72 119.672  -6.165   6.217
  541   1HB   LYS  72          1HB       LYS  72 120.915  -4.386   7.292
  542   2HB   LYS  72          2HB       LYS  72 121.749  -4.880   5.826
  543   1HG   LYS  72          1HG       LYS  72 121.896  -2.635   5.579
  544   2HG   LYS  72          2HG       LYS  72 120.331  -2.890   4.799
  545   1HD   LYS  72          1HD       LYS  72 119.522  -2.588   7.341
  546   2HD   LYS  72          2HD       LYS  72 120.985  -1.603   7.380
  547   1HE   LYS  72          1HE       LYS  72 119.188  -1.207   5.067
  548   2HE   LYS  72          2HE       LYS  72 118.584  -0.659   6.631
  549   1HZ   LYS  72          1HZ       LYS  72 120.052   1.016   6.699
  550   2HZ   LYS  72          2HZ       LYS  72 120.158   0.796   5.026
  551   3HZ   LYS  72          3HZ       LYS  72 121.315   0.099   6.045
  552    H    ALA  73           H        ALA  73 118.083  -3.777   4.400
  553    HA   ALA  73           HA       ALA  73 116.579  -2.600   6.546
  554   1HB   ALA  73          1HB       ALA  73 116.748  -2.310   3.606
  555   2HB   ALA  73          2HB       ALA  73 116.779  -1.077   4.868
  556   3HB   ALA  73          3HB       ALA  73 115.247  -1.809   4.384
  557    H    GLU  74           H        GLU  74 116.470  -5.601   5.311
  558    HA   GLU  74           HA       GLU  74 114.943  -7.276   5.429
  559   1HB   GLU  74          1HB       GLU  74 113.212  -5.146   6.694
  560   2HB   GLU  74          2HB       GLU  74 112.743  -6.830   6.551
  561   1HG   GLU  74          1HG       GLU  74 114.391  -7.538   8.050
  562   2HG   GLU  74          2HG       GLU  74 115.274  -6.018   7.927
  563    H    LEU  75           H        LEU  75 115.055  -5.109   3.231
  564    HA   LEU  75           HA       LEU  75 112.756  -6.159   1.811
  565   1HB   LEU  75          1HB       LEU  75 112.806  -3.567   0.876
  566   2HB   LEU  75          2HB       LEU  75 111.599  -4.271   1.941
  567    HG   LEU  75           HG       LEU  75 113.684  -3.428   3.594
  568   1HD1  LEU  75          1HD1      LEU  75 114.738  -1.982   2.136
  569   2HD1  LEU  75          2HD1      LEU  75 113.553  -0.919   2.900
  570   3HD1  LEU  75          3HD1      LEU  75 113.240  -1.579   1.290
  571   1HD2  LEU  75          1HD2      LEU  75 111.773  -1.495   3.801
  572   2HD2  LEU  75          2HD2      LEU  75 111.713  -3.070   4.592
  573   3HD2  LEU  75          3HD2      LEU  75 110.878  -2.820   3.059
  574    H    PHE  76           H        PHE  76 114.715  -7.376   1.027
  575    HA   PHE  76           HA       PHE  76 115.793  -5.966  -1.327
  576   1HB   PHE  76          1HB       PHE  76 117.812  -6.340  -0.380
  577   2HB   PHE  76          2HB       PHE  76 117.171  -7.553   0.729
  578    HD1  PHE  76           HD1      PHE  76 117.277  -9.884   0.201
  579    HD2  PHE  76           HD2      PHE  76 118.560  -6.970  -2.622
  580    HE1  PHE  76           HE1      PHE  76 118.340 -11.654  -1.137
  581    HE2  PHE  76           HE2      PHE  76 119.624  -8.734  -3.967
  582    HZ   PHE  76           HZ       PHE  76 119.514 -11.080  -3.225
  Start of MODEL    8
    1    HT1  PRO   9           HT1      PRO   9 103.313  15.442  -5.984
    2    HT2  PRO   9           HT2      PRO   9 104.329  14.939  -7.175
    3    HA   PRO   9           HA       PRO   9 102.299  13.676  -6.162
    4   1HB   PRO   9          1HB       PRO   9 101.296  13.888  -8.878
    5   2HB   PRO   9          2HB       PRO   9 100.425  14.061  -7.349
    6   1HG   PRO   9          1HG       PRO   9 100.934  16.155  -9.008
    7   2HG   PRO   9          2HG       PRO   9 100.776  16.320  -7.251
    8   1HD   PRO   9          1HD       PRO   9 103.268  16.173  -8.922
    9   2HD   PRO   9          2HD       PRO   9 102.891  17.253  -7.567
   10    H    GLY  10           H        GLY  10 103.699  11.989  -6.150
   11   1HA   GLY  10          1HA       GLY  10 104.682  11.037  -8.771
   12   2HA   GLY  10          2HA       GLY  10 105.584  10.856  -7.274
   13    H    LEU  11           H        LEU  11 105.197   9.180  -5.962
   14    HA   LEU  11           HA       LEU  11 103.140   7.269  -6.836
   15   1HB   LEU  11          1HB       LEU  11 104.924   5.733  -5.482
   16   2HB   LEU  11          2HB       LEU  11 104.871   5.908  -7.225
   17    HG   LEU  11           HG       LEU  11 106.503   7.941  -6.707
   18   1HD1  LEU  11          1HD1      LEU  11 106.611   7.929  -4.384
   19   2HD1  LEU  11          2HD1      LEU  11 108.074   7.067  -4.867
   20   3HD1  LEU  11          3HD1      LEU  11 106.665   6.167  -4.300
   21   1HD2  LEU  11          1HD2      LEU  11 106.770   5.591  -7.902
   22   2HD2  LEU  11          2HD2      LEU  11 107.788   5.278  -6.496
   23   3HD2  LEU  11          3HD2      LEU  11 108.152   6.633  -7.565
   24    H    GLN  12           H        GLN  12 102.424   5.762  -5.092
   25    HA   GLN  12           HA       GLN  12 101.633   7.294  -2.799
   26   1HB   GLN  12          1HB       GLN  12 100.641   4.974  -2.124
   27   2HB   GLN  12          2HB       GLN  12  99.932   5.872  -3.458
   28   1HG   GLN  12          1HG       GLN  12 102.082   3.977  -4.155
   29   2HG   GLN  12          2HG       GLN  12 100.569   3.277  -3.586
   30   1HE2  GLN  12          1HE2      GLN  12 101.913   3.346  -6.253
   31   2HE2  GLN  12          2HE2      GLN  12 100.705   3.941  -7.338
   32    H    ILE  13           H        ILE  13 102.242   7.064  -0.688
   33    HA   ILE  13           HA       ILE  13 104.514   5.269  -0.161
   34    HB   ILE  13           HB       ILE  13 104.102   8.021   1.011
   35   1HG1  ILE  13          1HG1      ILE  13 105.778   7.018  -1.281
   36   2HG1  ILE  13          2HG1      ILE  13 104.677   8.395  -1.244
   37   1HG2  ILE  13          1HG2      ILE  13 106.088   7.753   2.166
   38   2HG2  ILE  13          2HG2      ILE  13 106.631   6.436   1.127
   39   3HG2  ILE  13          3HG2      ILE  13 105.349   6.158   2.304
   40   1HD1  ILE  13          1HD1      ILE  13 106.495   9.646  -1.000
   41   2HD1  ILE  13          2HD1      ILE  13 107.503   8.248  -0.621
   42   3HD1  ILE  13          3HD1      ILE  13 106.570   9.035   0.652
   43    H    TYR  14           H        TYR  14 104.187   3.859   1.410
   44    HA   TYR  14           HA       TYR  14 102.196   4.467   3.497
   45   1HB   TYR  14          1HB       TYR  14 102.757   1.684   2.477
   46   2HB   TYR  14          2HB       TYR  14 101.396   2.237   3.449
   47    HD1  TYR  14           HD1      TYR  14 102.915   2.564   0.064
   48    HD2  TYR  14           HD2      TYR  14  99.392   2.852   2.434
   49    HE1  TYR  14           HE1      TYR  14 101.574   2.851  -1.972
   50    HE2  TYR  14           HE2      TYR  14  98.041   3.143   0.401
   51    HH   TYR  14           HH       TYR  14  98.517   4.020  -2.015
   52    HA   PRO  15           HA       PRO  15 104.929   3.394   6.806
   53   1HB   PRO  15          1HB       PRO  15 103.539   0.767   7.153
   54   2HB   PRO  15          2HB       PRO  15 103.960   1.986   8.366
   55   1HG   PRO  15          1HG       PRO  15 101.461   1.779   7.502
   56   2HG   PRO  15          2HG       PRO  15 102.189   3.374   7.775
   57   1HD   PRO  15          1HD       PRO  15 101.645   1.948   5.213
   58   2HD   PRO  15          2HD       PRO  15 101.565   3.686   5.576
   59    H    TYR  16           H        TYR  16 106.562   1.726   7.549
   60    HA   TYR  16           HA       TYR  16 107.824   0.601   5.212
   61   1HB   TYR  16          1HB       TYR  16 109.371   1.671   6.564
   62   2HB   TYR  16          2HB       TYR  16 108.625   1.098   8.052
   63    HD1  TYR  16           HD1      TYR  16 109.323  -0.887   9.074
   64    HD2  TYR  16           HD2      TYR  16 110.748   0.089   5.195
   65    HE1  TYR  16           HE1      TYR  16 110.983  -2.700   9.238
   66    HE2  TYR  16           HE2      TYR  16 112.413  -1.716   5.328
   67    HH   TYR  16           HH       TYR  16 113.611  -2.958   7.353
   68    H    GLU  17           H        GLU  17 106.995  -0.690   8.441
   69    HA   GLU  17           HA       GLU  17 107.527  -3.342   8.083
   70   1HB   GLU  17          1HB       GLU  17 105.703  -1.800   9.773
   71   2HB   GLU  17          2HB       GLU  17 105.147  -3.443   9.482
   72   1HG   GLU  17          1HG       GLU  17 107.434  -4.220  10.197
   73   2HG   GLU  17          2HG       GLU  17 107.735  -2.562  10.728
   74    H    MET  18           H        MET  18 104.438  -1.759   7.246
   75    HA   MET  18           HA       MET  18 103.238  -4.070   6.159
   76   1HB   MET  18          1HB       MET  18 102.621  -1.241   6.367
   77   2HB   MET  18          2HB       MET  18 102.133  -1.886   4.806
   78   1HG   MET  18          1HG       MET  18 101.184  -3.812   6.426
   79   2HG   MET  18          2HG       MET  18 101.064  -2.411   7.495
   80   1HE   MET  18          1HE       MET  18  99.291  -4.578   5.780
   81   2HE   MET  18          2HE       MET  18  99.312  -4.032   4.103
   82   3HE   MET  18          3HE       MET  18  97.877  -3.776   5.095
   83    H    LEU  19           H        LEU  19 105.538  -1.810   4.933
   84    HA   LEU  19           HA       LEU  19 105.192  -2.652   2.175
   85   1HB   LEU  19          1HB       LEU  19 106.860  -0.588   3.562
   86   2HB   LEU  19          2HB       LEU  19 107.185  -1.030   1.894
   87    HG   LEU  19           HG       LEU  19 104.580   0.092   2.933
   88   1HD1  LEU  19          1HD1      LEU  19 106.523   1.452   1.097
   89   2HD1  LEU  19          2HD1      LEU  19 106.634   1.613   2.850
   90   3HD1  LEU  19          3HD1      LEU  19 105.183   2.151   2.004
   91   1HD2  LEU  19          1HD2      LEU  19 105.479  -0.970   0.312
   92   2HD2  LEU  19          2HD2      LEU  19 104.383   0.412   0.332
   93   3HD2  LEU  19          3HD2      LEU  19 103.912  -1.100   1.108
   94    H    VAL  20           H        VAL  20 106.749  -3.957   4.790
   95    HA   VAL  20           HA       VAL  20 109.324  -4.521   3.804
   96    HB   VAL  20           HB       VAL  20 107.759  -6.364   5.612
   97   1HG1  VAL  20          1HG1      VAL  20 110.594  -6.011   4.874
   98   2HG1  VAL  20          2HG1      VAL  20 109.710  -7.476   5.303
   99   3HG1  VAL  20          3HG1      VAL  20 110.245  -6.362   6.565
  100   1HG2  VAL  20          1HG2      VAL  20 109.523  -4.325   6.793
  101   2HG2  VAL  20          2HG2      VAL  20 108.016  -5.018   7.391
  102   3HG2  VAL  20          3HG2      VAL  20 107.980  -3.757   6.161
  103    H    VAL  21           H        VAL  21 110.085  -6.768   3.128
  104    HA   VAL  21           HA       VAL  21 108.235  -7.696   1.053
  105    HB   VAL  21           HB       VAL  21 111.186  -8.247   1.299
  106   1HG1  VAL  21          1HG1      VAL  21 110.523  -9.818  -0.203
  107   2HG1  VAL  21          2HG1      VAL  21 110.689  -8.450  -1.304
  108   3HG1  VAL  21          3HG1      VAL  21 109.096  -8.904  -0.697
  109   1HG2  VAL  21          1HG2      VAL  21 109.753  -6.096  -0.253
  110   2HG2  VAL  21          2HG2      VAL  21 111.469  -6.473  -0.384
  111   3HG2  VAL  21          3HG2      VAL  21 110.815  -5.855   1.135
  112    H    THR  22           H        THR  22 110.799  -9.361   2.932
  113    HA   THR  22           HA       THR  22 109.065 -11.734   2.939
  114    HB   THR  22           HB       THR  22 112.053 -11.416   3.140
  115    HG1  THR  22           HG1      THR  22 110.447 -12.904   1.344
  116   1HG2  THR  22          1HG2      THR  22 112.196 -13.293   4.310
  117   2HG2  THR  22          2HG2      THR  22 111.538 -14.124   2.900
  118   3HG2  THR  22          3HG2      THR  22 110.461 -13.585   4.189
  119    H    ASN  23           H        ASN  23 111.327 -10.021   5.039
  120    HA   ASN  23           HA       ASN  23 111.185 -11.359   7.359
  121   1HB   ASN  23          1HB       ASN  23 111.104  -8.357   7.039
  122   2HB   ASN  23          2HB       ASN  23 111.551  -9.207   8.522
  123   1HD2  ASN  23          1HD2      ASN  23 112.471  -8.533   5.208
  124   2HD2  ASN  23          2HD2      ASN  23 114.133  -8.978   5.384
  125    H    LYS  24           H        LYS  24 108.519  -9.548   6.005
  126    HA   LYS  24           HA       LYS  24 106.982 -10.091   8.461
  127   1HB   LYS  24          1HB       LYS  24 107.121  -7.754   6.701
  128   2HB   LYS  24          2HB       LYS  24 105.476  -8.253   7.077
  129   1HG   LYS  24          1HG       LYS  24 106.449  -6.538   8.614
  130   2HG   LYS  24          2HG       LYS  24 105.839  -7.991   9.408
  131   1HD   LYS  24          1HD       LYS  24 107.941  -7.412  10.407
  132   2HD   LYS  24          2HD       LYS  24 108.173  -8.870   9.441
  133   1HE   LYS  24          1HE       LYS  24 109.897  -7.799   8.510
  134   2HE   LYS  24          2HE       LYS  24 108.688  -6.848   7.651
  135   1HZ   LYS  24          1HZ       LYS  24 108.872  -5.108   9.165
  136   2HZ   LYS  24          2HZ       LYS  24 110.474  -5.603   8.939
  137   3HZ   LYS  24          3HZ       LYS  24 109.636  -6.062  10.335
  138    H    GLY  25           H        GLY  25 107.440 -11.911   6.166
  139   1HA   GLY  25          1HA       GLY  25 105.710 -13.611   5.735
  140   2HA   GLY  25          2HA       GLY  25 104.606 -12.284   5.405
  141    H    ARG  26           H        ARG  26 104.490 -11.452   3.377
  142    HA   ARG  26           HA       ARG  26 106.554 -12.176   1.461
  143   1HB   ARG  26          1HB       ARG  26 105.010 -12.966  -0.180
  144   2HB   ARG  26          2HB       ARG  26 104.740 -13.876   1.293
  145   1HG   ARG  26          1HG       ARG  26 103.050 -11.519   1.095
  146   2HG   ARG  26          2HG       ARG  26 102.821 -12.651  -0.237
  147   1HD   ARG  26          1HD       ARG  26 102.999 -13.814   2.469
  148   2HD   ARG  26          2HD       ARG  26 101.551 -12.871   2.114
  149    HE   ARG  26           HE       ARG  26 101.733 -14.511  -0.019
  150   1HH1  ARG  26          1HH1      ARG  26 101.808 -15.097   3.420
  151   2HH1  ARG  26          2HH1      ARG  26 101.115 -16.678   3.293
  152   1HH2  ARG  26          1HH2      ARG  26 100.818 -16.590  -0.189
  153   2HH2  ARG  26          2HH2      ARG  26 100.549 -17.525   1.245
  154    H    THR  27           H        THR  27 104.708 -11.093  -0.712
  155    HA   THR  27           HA       THR  27 105.627  -8.465  -0.551
  156    HB   THR  27           HB       THR  27 105.070  -9.635  -2.674
  157    HG1  THR  27           HG1      THR  27 103.589  -7.246  -2.562
  158   1HG2  THR  27          1HG2      THR  27 102.221  -8.838  -2.227
  159   2HG2  THR  27          2HG2      THR  27 102.809 -10.469  -1.896
  160   3HG2  THR  27          3HG2      THR  27 102.908  -9.810  -3.528
  161    H    LYS  28           H        LYS  28 102.172  -9.447  -0.395
  162    HA   LYS  28           HA       LYS  28 100.382  -8.354   0.499
  163   1HB   LYS  28          1HB       LYS  28 102.465  -8.054   2.655
  164   2HB   LYS  28          2HB       LYS  28 100.740  -7.774   2.888
  165   1HG   LYS  28          1HG       LYS  28 100.522  -9.916   3.387
  166   2HG   LYS  28          2HG       LYS  28 100.978 -10.311   1.724
  167   1HD   LYS  28          1HD       LYS  28 102.514 -11.476   3.062
  168   2HD   LYS  28          2HD       LYS  28 103.389 -10.047   2.494
  169   1HE   LYS  28          1HE       LYS  28 101.939  -9.677   5.020
  170   2HE   LYS  28          2HE       LYS  28 103.236 -10.869   5.093
  171   1HZ   LYS  28          1HZ       LYS  28 103.383  -7.985   4.645
  172   2HZ   LYS  28          2HZ       LYS  28 104.513  -8.952   3.841
  173   3HZ   LYS  28          3HZ       LYS  28 104.413  -8.996   5.530
  174    H    LEU  29           H        LEU  29 102.482  -6.618  -0.969
  175    HA   LEU  29           HA       LEU  29 102.660  -4.131   0.234
  176   1HB   LEU  29          1HB       LEU  29 102.900  -5.216  -2.493
  177   2HB   LEU  29          2HB       LEU  29 102.672  -3.489  -2.370
  178    HG   LEU  29           HG       LEU  29 104.971  -3.794  -2.507
  179   1HD1  LEU  29          1HD1      LEU  29 104.376  -3.591   0.440
  180   2HD1  LEU  29          2HD1      LEU  29 104.321  -2.259  -0.713
  181   3HD1  LEU  29          3HD1      LEU  29 105.850  -3.061  -0.362
  182   1HD2  LEU  29          1HD2      LEU  29 104.416  -6.251  -1.106
  183   2HD2  LEU  29          2HD2      LEU  29 105.818  -5.420  -0.442
  184   3HD2  LEU  29          3HD2      LEU  29 105.765  -5.832  -2.156
  185    HA   PRO  30           HA       PRO  30  98.570  -2.417   0.011
  186   1HB   PRO  30          1HB       PRO  30  99.393   0.229  -0.203
  187   2HB   PRO  30          2HB       PRO  30  99.196  -0.645   1.321
  188   1HG   PRO  30          1HG       PRO  30 101.674  -0.084  -0.246
  189   2HG   PRO  30          2HG       PRO  30 101.434  -0.104   1.512
  190   1HD   PRO  30          1HD       PRO  30 102.637  -2.141   0.213
  191   2HD   PRO  30          2HD       PRO  30 101.602  -2.408   1.633
  192    HA   PRO  31           HA       PRO  31  97.775  -1.357  -4.215
  193   1HB   PRO  31          1HB       PRO  31  96.749   1.349  -3.742
  194   2HB   PRO  31          2HB       PRO  31  95.887  -0.100  -4.278
  195   1HG   PRO  31          1HG       PRO  31  95.525   0.959  -1.823
  196   2HG   PRO  31          2HG       PRO  31  95.432  -0.786  -2.126
  197   1HD   PRO  31          1HD       PRO  31  97.681   0.819  -0.965
  198   2HD   PRO  31          2HD       PRO  31  97.048  -0.763  -0.459
  199    H    GLY  32           H        GLY  32  99.637  -1.124  -5.379
  200   1HA   GLY  32          1HA       GLY  32 100.788   0.307  -6.908
  201   2HA   GLY  32          2HA       GLY  32 100.574   1.632  -5.781
  202    H    VAL  33           H        VAL  33 101.905  -1.624  -5.187
  203    HA   VAL  33           HA       VAL  33 104.552  -0.444  -4.802
  204    HB   VAL  33           HB       VAL  33 104.180  -2.373  -2.756
  205   1HG1  VAL  33          1HG1      VAL  33 105.659  -0.168  -3.185
  206   2HG1  VAL  33          2HG1      VAL  33 105.482  -0.955  -1.621
  207   3HG1  VAL  33          3HG1      VAL  33 104.483   0.441  -2.025
  208   1HG2  VAL  33          1HG2      VAL  33 101.784  -1.145  -3.140
  209   2HG2  VAL  33          2HG2      VAL  33 102.549  -0.092  -1.954
  210   3HG2  VAL  33          3HG2      VAL  33 102.350  -1.810  -1.614
  211    H    ASP  34           H        ASP  34 106.167  -1.624  -5.510
  212    HA   ASP  34           HA       ASP  34 105.832  -4.503  -5.867
  213   1HB   ASP  34          1HB       ASP  34 105.306  -2.996  -8.000
  214   2HB   ASP  34          2HB       ASP  34 107.066  -3.012  -8.138
  215    H    ARG  35           H        ARG  35 107.743  -5.660  -5.784
  216    HA   ARG  35           HA       ARG  35 109.811  -4.712  -4.234
  217   1HB   ARG  35          1HB       ARG  35 109.343  -7.070  -5.910
  218   2HB   ARG  35          2HB       ARG  35 111.043  -6.672  -5.712
  219   1HG   ARG  35          1HG       ARG  35 110.445  -8.222  -4.011
  220   2HG   ARG  35          2HG       ARG  35 110.684  -6.645  -3.249
  221   1HD   ARG  35          1HD       ARG  35 108.681  -6.915  -2.318
  222   2HD   ARG  35          2HD       ARG  35 107.991  -6.678  -3.920
  223    HE   ARG  35           HE       ARG  35 108.322  -9.196  -2.503
  224   1HH1  ARG  35          1HH1      ARG  35 107.498  -7.591  -5.497
  225   2HH1  ARG  35          2HH1      ARG  35 106.665  -8.963  -6.143
  226   1HH2  ARG  35          1HH2      ARG  35 107.231 -10.996  -3.359
  227   2HH2  ARG  35          2HH2      ARG  35 106.514 -10.894  -4.933
  228    H    MET  36           H        MET  36 109.309  -4.250  -7.623
  229    HA   MET  36           HA       MET  36 111.834  -3.871  -8.628
  230   1HB   MET  36          1HB       MET  36 109.281  -3.422  -9.530
  231   2HB   MET  36          2HB       MET  36 109.947  -1.796  -9.482
  232   1HG   MET  36          1HG       MET  36 111.698  -2.372 -10.969
  233   2HG   MET  36          2HG       MET  36 111.324  -4.093 -10.840
  234   1HE   MET  36          1HE       MET  36 111.249  -3.985 -13.862
  235   2HE   MET  36          2HE       MET  36 109.606  -4.619 -13.974
  236   3HE   MET  36          3HE       MET  36 110.666  -5.144 -12.665
  237    H    ARG  37           H        ARG  37 109.901  -1.564  -6.750
  238    HA   ARG  37           HA       ARG  37 112.345  -0.143  -6.060
  239   1HB   ARG  37          1HB       ARG  37 110.984   2.058  -6.502
  240   2HB   ARG  37          2HB       ARG  37 111.878   1.286  -7.800
  241   1HG   ARG  37          1HG       ARG  37 109.204   0.228  -7.643
  242   2HG   ARG  37          2HG       ARG  37 109.180   1.987  -7.776
  243   1HD   ARG  37          1HD       ARG  37 111.114   0.770  -9.568
  244   2HD   ARG  37          2HD       ARG  37 109.478   0.179  -9.852
  245    HE   ARG  37           HE       ARG  37 109.304   2.935  -9.648
  246   1HH1  ARG  37          1HH1      ARG  37 110.856   0.607 -11.733
  247   2HH1  ARG  37          2HH1      ARG  37 110.807   1.635 -13.125
  248   1HH2  ARG  37          1HH2      ARG  37 109.237   4.288 -11.478
  249   2HH2  ARG  37          2HH2      ARG  37 109.889   3.726 -12.981
  250    H    LEU  38           H        LEU  38 111.099  -1.686  -4.308
  251    HA   LEU  38           HA       LEU  38 108.988  -0.465  -2.880
  252   1HB   LEU  38          1HB       LEU  38 110.883  -2.702  -2.383
  253   2HB   LEU  38          2HB       LEU  38 110.016  -2.036  -1.005
  254    HG   LEU  38           HG       LEU  38 108.695  -3.103  -3.504
  255   1HD1  LEU  38          1HD1      LEU  38 108.934  -4.359  -0.772
  256   2HD1  LEU  38          2HD1      LEU  38 109.814  -4.871  -2.213
  257   3HD1  LEU  38          3HD1      LEU  38 108.056  -5.014  -2.156
  258   1HD2  LEU  38          1HD2      LEU  38 106.661  -2.988  -2.121
  259   2HD2  LEU  38          2HD2      LEU  38 107.370  -1.407  -2.440
  260   3HD2  LEU  38          3HD2      LEU  38 107.589  -2.169  -0.865
  261    H    GLU  39           H        GLU  39 112.455  -0.124  -2.769
  262    HA   GLU  39           HA       GLU  39 112.497   1.289  -0.283
  263   1HB   GLU  39          1HB       GLU  39 114.801   1.484  -0.559
  264   2HB   GLU  39          2HB       GLU  39 114.420  -0.039  -1.349
  265   1HG   GLU  39          1HG       GLU  39 114.837   2.596  -2.743
  266   2HG   GLU  39          2HG       GLU  39 116.024   1.298  -2.619
  267    H    ARG  40           H        ARG  40 110.991   2.183  -2.923
  268    HA   ARG  40           HA       ARG  40 111.868   4.989  -2.757
  269   1HB   ARG  40          1HB       ARG  40 111.676   3.308  -5.002
  270   2HB   ARG  40          2HB       ARG  40 110.313   4.410  -5.114
  271   1HG   ARG  40          1HG       ARG  40 112.640   5.896  -4.404
  272   2HG   ARG  40          2HG       ARG  40 113.010   4.878  -5.797
  273   1HD   ARG  40          1HD       ARG  40 111.833   6.195  -7.150
  274   2HD   ARG  40          2HD       ARG  40 110.421   6.098  -6.101
  275    HE   ARG  40           HE       ARG  40 111.053   8.085  -5.078
  276   1HH1  ARG  40          1HH1      ARG  40 113.466   7.079  -7.401
  277   2HH1  ARG  40          2HH1      ARG  40 114.258   8.617  -7.424
  278   1HH2  ARG  40          1HH2      ARG  40 112.102  10.103  -5.111
  279   2HH2  ARG  40          2HH2      ARG  40 113.487  10.331  -6.126
  280    H    HIS  41           H        HIS  41 109.426   2.748  -2.199
  281    HA   HIS  41           HA       HIS  41 107.225   4.625  -2.379
  282   1HB   HIS  41          1HB       HIS  41 107.515   1.691  -1.830
  283   2HB   HIS  41          2HB       HIS  41 106.027   2.521  -1.409
  284    HD1  HIS  41           HD1      HIS  41 104.907   3.868  -3.540
  285    HD2  HIS  41           HD2      HIS  41 107.576   0.800  -4.378
  286    HE1  HIS  41           HE1      HIS  41 104.473   3.233  -5.933
  287    HE2  HIS  41           HE2      HIS  41 106.186   1.463  -6.455
  288    H    LEU  42           H        LEU  42 109.611   4.016  -0.179
  289    HA   LEU  42           HA       LEU  42 108.043   4.127   2.224
  290   1HB   LEU  42          1HB       LEU  42 110.996   4.220   1.641
  291   2HB   LEU  42          2HB       LEU  42 110.334   4.320   3.267
  292    HG   LEU  42           HG       LEU  42 109.289   2.038   1.799
  293   1HD1  LEU  42          1HD1      LEU  42 111.934   1.254   2.525
  294   2HD1  LEU  42          2HD1      LEU  42 112.015   2.571   1.349
  295   3HD1  LEU  42          3HD1      LEU  42 111.110   1.106   0.970
  296   1HD2  LEU  42          1HD2      LEU  42 110.909   2.081   4.308
  297   2HD2  LEU  42          2HD2      LEU  42 109.640   0.951   3.828
  298   3HD2  LEU  42          3HD2      LEU  42 109.230   2.610   4.263
  299    H    SER  43           H        SER  43 107.828   5.840   3.591
  300    HA   SER  43           HA       SER  43 107.947   8.446   2.445
  301   1HB   SER  43          1HB       SER  43 106.408   7.364   4.369
  302   2HB   SER  43          2HB       SER  43 107.611   8.168   5.383
  303    HG   SER  43           HG       SER  43 106.284   9.492   3.264
  304    H    ALA  44           H        ALA  44 109.089  10.276   3.340
  305    HA   ALA  44           HA       ALA  44 111.814   9.990   3.466
  306   1HB   ALA  44          1HB       ALA  44 109.920  12.120   4.195
  307   2HB   ALA  44          2HB       ALA  44 111.369  12.182   3.191
  308   3HB   ALA  44          3HB       ALA  44 111.511  12.234   4.948
  309    H    GLU  45           H        GLU  45 109.496   9.581   6.019
  310    HA   GLU  45           HA       GLU  45 111.461   9.556   8.134
  311   1HB   GLU  45          1HB       GLU  45 108.940   8.200   8.736
  312   2HB   GLU  45          2HB       GLU  45 109.703   9.555   9.546
  313   1HG   GLU  45          1HG       GLU  45 107.921   9.649   7.130
  314   2HG   GLU  45          2HG       GLU  45 107.551  10.219   8.755
  315    H    ASP  46           H        ASP  46 109.406   7.175   6.521
  316    HA   ASP  46           HA       ASP  46 110.373   4.881   7.750
  317   1HB   ASP  46          1HB       ASP  46 109.468   5.055   4.874
  318   2HB   ASP  46          2HB       ASP  46 109.397   3.648   5.937
  319    H    PHE  47           H        PHE  47 111.403   6.324   4.643
  320    HA   PHE  47           HA       PHE  47 113.429   4.522   4.053
  321   1HB   PHE  47          1HB       PHE  47 112.423   6.467   2.657
  322   2HB   PHE  47          2HB       PHE  47 113.684   7.444   3.414
  323    HD1  PHE  47           HD1      PHE  47 113.193   4.286   1.533
  324    HD2  PHE  47           HD2      PHE  47 115.778   7.530   2.466
  325    HE1  PHE  47           HE1      PHE  47 114.821   3.475  -0.142
  326    HE2  PHE  47           HE2      PHE  47 117.404   6.732   0.798
  327    HZ   PHE  47           HZ       PHE  47 116.919   4.706  -0.512
  328    H    SER  48           H        SER  48 113.811   7.750   5.520
  329    HA   SER  48           HA       SER  48 116.524   7.459   6.143
  330   1HB   SER  48          1HB       SER  48 116.243   9.416   7.560
  331   2HB   SER  48          2HB       SER  48 115.317   9.629   6.073
  332    HG   SER  48           HG       SER  48 114.095  10.211   7.904
  333    H    ARG  49           H        ARG  49 113.804   5.996   7.579
  334    HA   ARG  49           HA       ARG  49 115.099   5.650  10.165
  335   1HB   ARG  49          1HB       ARG  49 112.701   6.146  10.125
  336   2HB   ARG  49          2HB       ARG  49 112.408   4.700   9.168
  337   1HG   ARG  49          1HG       ARG  49 111.822   4.198  11.407
  338   2HG   ARG  49          2HG       ARG  49 113.338   3.360  11.065
  339   1HD   ARG  49          1HD       ARG  49 114.264   5.716  12.023
  340   2HD   ARG  49          2HD       ARG  49 112.764   5.555  12.940
  341    HE   ARG  49           HE       ARG  49 113.917   3.127  13.220
  342   1HH1  ARG  49          1HH1      ARG  49 115.074   6.381  13.723
  343   2HH1  ARG  49          2HH1      ARG  49 116.171   5.929  14.985
  344   1HH2  ARG  49          1HH2      ARG  49 115.359   2.532  14.882
  345   2HH2  ARG  49          2HH2      ARG  49 116.331   3.745  15.644
  346    H    VAL  50           H        VAL  50 114.358   3.831   7.261
  347    HA   VAL  50           HA       VAL  50 115.262   1.343   8.495
  348    HB   VAL  50           HB       VAL  50 114.425   1.694   5.622
  349   1HG1  VAL  50          1HG1      VAL  50 115.653  -0.382   6.509
  350   2HG1  VAL  50          2HG1      VAL  50 114.180  -0.619   5.568
  351   3HG1  VAL  50          3HG1      VAL  50 114.136  -0.753   7.326
  352   1HG2  VAL  50          1HG2      VAL  50 112.476   0.597   7.542
  353   2HG2  VAL  50          2HG2      VAL  50 112.226   1.595   6.110
  354   3HG2  VAL  50          3HG2      VAL  50 112.747   2.337   7.625
  355    H    PHE  51           H        PHE  51 116.258   3.663   6.034
  356    HA   PHE  51           HA       PHE  51 118.713   2.109   5.598
  357   1HB   PHE  51          1HB       PHE  51 117.547   4.376   3.972
  358   2HB   PHE  51          2HB       PHE  51 119.010   3.478   3.575
  359    HD1  PHE  51           HD1      PHE  51 118.582   0.808   3.577
  360    HD2  PHE  51           HD2      PHE  51 115.676   3.812   2.821
  361    HE1  PHE  51           HE1      PHE  51 117.250  -0.811   2.281
  362    HE2  PHE  51           HE2      PHE  51 114.335   2.198   1.527
  363    HZ   PHE  51           HZ       PHE  51 115.130  -0.109   1.254
  364    H    ALA  52           H        ALA  52 117.532   5.268   6.604
  365    HA   ALA  52           HA       ALA  52 118.551   6.886   7.879
  366   1HB   ALA  52          1HB       ALA  52 121.137   5.382   7.764
  367   2HB   ALA  52          2HB       ALA  52 119.834   4.890   8.846
  368   3HB   ALA  52          3HB       ALA  52 120.559   6.490   9.008
  369    H    MET  53           H        MET  53 118.796   6.403   4.852
  370    HA   MET  53           HA       MET  53 120.690   8.592   4.344
  371   1HB   MET  53          1HB       MET  53 120.837   7.148   2.044
  372   2HB   MET  53          2HB       MET  53 122.018   7.090   3.348
  373   1HG   MET  53          1HG       MET  53 121.357   5.038   4.052
  374   2HG   MET  53          2HG       MET  53 119.681   5.285   3.556
  375   1HE   MET  53          1HE       MET  53 119.064   5.621   1.066
  376   2HE   MET  53          2HE       MET  53 119.864   4.794  -0.270
  377   3HE   MET  53          3HE       MET  53 120.524   6.303   0.345
  378    H    SER  54           H        SER  54 120.294   9.695   2.307
  379    HA   SER  54           HA       SER  54 117.555  10.399   2.083
  380   1HB   SER  54          1HB       SER  54 120.051  11.157   0.574
  381   2HB   SER  54          2HB       SER  54 118.462  11.786   0.117
  382    HG   SER  54           HG       SER  54 120.083  12.611   2.075
  383    HA   PRO  55           HA       PRO  55 116.013   7.533  -0.949
  384   1HB   PRO  55          1HB       PRO  55 114.747   9.969  -2.116
  385   2HB   PRO  55          2HB       PRO  55 114.013   8.420  -1.689
  386   1HG   PRO  55          1HG       PRO  55 113.658  10.577  -0.156
  387   2HG   PRO  55          2HG       PRO  55 113.850   8.963   0.557
  388   1HD   PRO  55          1HD       PRO  55 115.787  11.223   0.432
  389   2HD   PRO  55          2HD       PRO  55 115.578   9.978   1.682
  390    H    GLU  56           H        GLU  56 117.507  10.583  -1.732
  391    HA   GLU  56           HA       GLU  56 118.056   9.898  -4.476
  392   1HB   GLU  56          1HB       GLU  56 117.808  12.201  -4.177
  393   2HB   GLU  56          2HB       GLU  56 118.710  12.201  -2.665
  394   1HG   GLU  56          1HG       GLU  56 120.677  12.494  -3.690
  395   2HG   GLU  56          2HG       GLU  56 120.265  11.410  -5.022
  396    H    GLU  57           H        GLU  57 119.653   9.756  -1.363
  397    HA   GLU  57           HA       GLU  57 122.289   9.375  -2.177
  398   1HB   GLU  57          1HB       GLU  57 120.741   8.831   0.292
  399   2HB   GLU  57          2HB       GLU  57 122.119   7.767   0.041
  400   1HG   GLU  57          1HG       GLU  57 123.124  10.274  -0.524
  401   2HG   GLU  57          2HG       GLU  57 122.040  10.542   0.840
  402    H    PHE  58           H        PHE  58 119.781   6.923  -1.520
  403    HA   PHE  58           HA       PHE  58 121.081   4.578  -2.045
  404   1HB   PHE  58          1HB       PHE  58 118.483   5.277  -1.683
  405   2HB   PHE  58          2HB       PHE  58 118.445   4.860  -3.394
  406    HD1  PHE  58           HD1      PHE  58 118.415   3.621  -0.040
  407    HD2  PHE  58           HD2      PHE  58 119.251   2.551  -4.073
  408    HE1  PHE  58           HE1      PHE  58 118.188   1.251   0.552
  409    HE2  PHE  58           HE2      PHE  58 119.022   0.173  -3.487
  410    HZ   PHE  58           HZ       PHE  58 118.491  -0.484  -1.175
  411    H    GLY  59           H        GLY  59 119.252   6.297  -4.594
  412   1HA   GLY  59          1HA       GLY  59 120.165   4.835  -6.754
  413   2HA   GLY  59          2HA       GLY  59 119.643   6.510  -6.846
  414    H    LYS  60           H        LYS  60 121.878   7.226  -4.921
  415    HA   LYS  60           HA       LYS  60 123.948   7.422  -6.982
  416   1HB   LYS  60          1HB       LYS  60 123.282   9.028  -4.539
  417   2HB   LYS  60          2HB       LYS  60 124.898   9.113  -5.236
  418   1HG   LYS  60          1HG       LYS  60 122.721   9.433  -7.174
  419   2HG   LYS  60          2HG       LYS  60 122.810  10.698  -5.942
  420   1HD   LYS  60          1HD       LYS  60 125.415   9.986  -7.051
  421   2HD   LYS  60          2HD       LYS  60 124.287  10.595  -8.264
  422   1HE   LYS  60          1HE       LYS  60 123.825  12.469  -6.539
  423   2HE   LYS  60          2HE       LYS  60 125.347  11.952  -5.814
  424   1HZ   LYS  60          1HZ       LYS  60 125.691  13.756  -7.374
  425   2HZ   LYS  60          2HZ       LYS  60 124.981  12.858  -8.619
  426   3HZ   LYS  60          3HZ       LYS  60 126.442  12.348  -7.936
  427    H    LEU  61           H        LEU  61 123.276   5.358  -4.526
  428    HA   LEU  61           HA       LEU  61 125.855   5.206  -3.307
  429   1HB   LEU  61          1HB       LEU  61 123.424   3.412  -3.200
  430   2HB   LEU  61          2HB       LEU  61 124.846   3.200  -2.205
  431    HG   LEU  61           HG       LEU  61 122.811   5.376  -2.072
  432   1HD1  LEU  61          1HD1      LEU  61 123.670   3.103  -0.437
  433   2HD1  LEU  61          2HD1      LEU  61 122.092   3.874  -0.584
  434   3HD1  LEU  61          3HD1      LEU  61 123.332   4.595   0.441
  435   1HD2  LEU  61          1HD2      LEU  61 124.245   6.506  -0.428
  436   2HD2  LEU  61          2HD2      LEU  61 124.960   6.501  -2.040
  437   3HD2  LEU  61          3HD2      LEU  61 125.548   5.381  -0.812
  438    H    ALA  62           H        ALA  62 125.662   2.196  -3.369
  439    HA   ALA  62           HA       ALA  62 126.665   1.736  -6.092
  440   1HB   ALA  62          1HB       ALA  62 127.861   0.456  -3.654
  441   2HB   ALA  62          2HB       ALA  62 128.472   1.957  -4.344
  442   3HB   ALA  62          3HB       ALA  62 128.496   0.472  -5.298
  443    H    LEU  63           H        LEU  63 126.677  -0.549  -6.748
  444    HA   LEU  63           HA       LEU  63 124.180  -1.756  -6.414
  445   1HB   LEU  63          1HB       LEU  63 125.870  -2.053  -8.285
  446   2HB   LEU  63          2HB       LEU  63 126.677  -3.210  -7.242
  447    HG   LEU  63           HG       LEU  63 123.907  -3.885  -7.370
  448   1HD1  LEU  63          1HD1      LEU  63 125.210  -3.282  -9.999
  449   2HD1  LEU  63          2HD1      LEU  63 123.600  -2.838  -9.429
  450   3HD1  LEU  63          3HD1      LEU  63 123.957  -4.515  -9.846
  451   1HD2  LEU  63          1HD2      LEU  63 124.725  -5.985  -7.667
  452   2HD2  LEU  63          2HD2      LEU  63 126.184  -5.202  -7.056
  453   3HD2  LEU  63          3HD2      LEU  63 125.980  -5.459  -8.789
  454    H    TRP  64           H        TRP  64 127.141  -2.170  -4.598
  455    HA   TRP  64           HA       TRP  64 126.184  -4.536  -3.255
  456   1HB   TRP  64          1HB       TRP  64 128.325  -4.196  -1.957
  457   2HB   TRP  64          2HB       TRP  64 128.542  -4.406  -3.700
  458    HD1  TRP  64           HD1      TRP  64 129.643  -2.416  -4.999
  459    HE1  TRP  64           HE1      TRP  64 130.557  -0.122  -4.292
  460    HE3  TRP  64           HE3      TRP  64 127.778  -2.309  -0.373
  461    HZ2  TRP  64           HZ2      TRP  64 130.477   1.524  -1.944
  462    HZ3  TRP  64           HZ3      TRP  64 128.232  -0.343   1.080
  463    HH2  TRP  64           HH2      TRP  64 129.539   1.527   0.295
  464    H    LYS  65           H        LYS  65 126.484  -1.111  -2.838
  465    HA   LYS  65           HA       LYS  65 125.789  -1.019  -0.072
  466   1HB   LYS  65          1HB       LYS  65 126.738   0.830  -1.811
  467   2HB   LYS  65          2HB       LYS  65 125.033   1.265  -1.809
  468   1HG   LYS  65          1HG       LYS  65 127.001   1.345   0.446
  469   2HG   LYS  65          2HG       LYS  65 125.954   2.625  -0.171
  470   1HD   LYS  65          1HD       LYS  65 124.018   1.590   0.782
  471   2HD   LYS  65          2HD       LYS  65 124.935   0.144   1.215
  472   1HE   LYS  65          1HE       LYS  65 125.026   1.154   3.232
  473   2HE   LYS  65          2HE       LYS  65 126.388   2.009   2.492
  474   1HZ   LYS  65          1HZ       LYS  65 124.064   3.107   3.538
  475   2HZ   LYS  65          2HZ       LYS  65 123.970   3.327   1.863
  476   3HZ   LYS  65          3HZ       LYS  65 125.305   3.913   2.718
  477    H    ARG  66           H        ARG  66 123.932  -0.148  -2.985
  478    HA   ARG  66           HA       ARG  66 121.422   0.156  -1.953
  479   1HB   ARG  66          1HB       ARG  66 122.143  -1.246  -4.531
  480   2HB   ARG  66          2HB       ARG  66 120.562  -0.590  -4.144
  481   1HG   ARG  66          1HG       ARG  66 121.861   1.637  -3.823
  482   2HG   ARG  66          2HG       ARG  66 123.091   0.833  -4.801
  483   1HD   ARG  66          1HD       ARG  66 120.541   0.422  -6.010
  484   2HD   ARG  66          2HD       ARG  66 120.742   2.147  -5.669
  485    HE   ARG  66           HE       ARG  66 122.049   0.660  -7.692
  486   1HH1  ARG  66          1HH1      ARG  66 122.617   3.209  -5.378
  487   2HH1  ARG  66          2HH1      ARG  66 123.850   3.966  -6.329
  488   1HH2  ARG  66          1HH2      ARG  66 123.671   1.652  -8.941
  489   2HH2  ARG  66          2HH2      ARG  66 124.450   3.082  -8.351
  490    H    ASN  67           H        ASN  67 123.019  -2.843  -2.885
  491    HA   ASN  67           HA       ASN  67 120.897  -4.606  -2.373
  492   1HB   ASN  67          1HB       ASN  67 123.830  -4.826  -2.675
  493   2HB   ASN  67          2HB       ASN  67 123.064  -6.135  -1.772
  494   1HD2  ASN  67          1HD2      ASN  67 122.524  -4.229  -4.720
  495   2HD2  ASN  67          2HD2      ASN  67 122.052  -5.568  -5.702
  496    H    GLU  68           H        GLU  68 123.752  -4.190  -0.287
  497    HA   GLU  68           HA       GLU  68 122.928  -5.449   1.958
  498   1HB   GLU  68          1HB       GLU  68 124.732  -3.155   1.452
  499   2HB   GLU  68          2HB       GLU  68 124.241  -3.411   3.120
  500   1HG   GLU  68          1HG       GLU  68 125.009  -5.795   2.860
  501   2HG   GLU  68          2HG       GLU  68 125.717  -5.309   1.320
  502    H    LEU  69           H        LEU  69 122.027  -2.168   0.986
  503    HA   LEU  69           HA       LEU  69 120.710  -1.459   3.374
  504   1HB   LEU  69          1HB       LEU  69 119.974  -0.525   0.611
  505   2HB   LEU  69          2HB       LEU  69 119.679   0.298   2.129
  506    HG   LEU  69           HG       LEU  69 122.462  -0.295   1.366
  507   1HD1  LEU  69          1HD1      LEU  69 121.625   2.312   0.479
  508   2HD1  LEU  69          2HD1      LEU  69 120.778   1.030  -0.376
  509   3HD1  LEU  69          3HD1      LEU  69 122.538   1.074  -0.379
  510   1HD2  LEU  69          1HD2      LEU  69 122.573   0.728   3.373
  511   2HD2  LEU  69          2HD2      LEU  69 121.003   1.507   3.175
  512   3HD2  LEU  69          3HD2      LEU  69 122.430   2.189   2.395
  513    H    LYS  70           H        LYS  70 119.287  -2.370   0.271
  514    HA   LYS  70           HA       LYS  70 116.677  -2.847   1.216
  515   1HB   LYS  70          1HB       LYS  70 118.248  -3.660  -1.189
  516   2HB   LYS  70          2HB       LYS  70 116.730  -4.486  -0.872
  517   1HG   LYS  70          1HG       LYS  70 115.472  -2.658  -1.346
  518   2HG   LYS  70          2HG       LYS  70 116.703  -1.528  -0.771
  519   1HD   LYS  70          1HD       LYS  70 116.474  -1.319  -3.166
  520   2HD   LYS  70          2HD       LYS  70 118.045  -2.028  -2.788
  521   1HE   LYS  70          1HE       LYS  70 116.557  -4.262  -3.047
  522   2HE   LYS  70          2HE       LYS  70 115.716  -3.194  -4.170
  523   1HZ   LYS  70          1HZ       LYS  70 118.225  -2.737  -4.881
  524   2HZ   LYS  70          2HZ       LYS  70 117.287  -3.965  -5.570
  525   3HZ   LYS  70          3HZ       LYS  70 118.387  -4.332  -4.339
  526    H    LYS  71           H        LYS  71 119.583  -4.647   1.476
  527    HA   LYS  71           HA       LYS  71 118.306  -7.172   2.044
  528   1HB   LYS  71          1HB       LYS  71 121.161  -6.196   1.974
  529   2HB   LYS  71          2HB       LYS  71 120.747  -7.801   2.583
  530   1HG   LYS  71          1HG       LYS  71 119.902  -8.476   0.482
  531   2HG   LYS  71          2HG       LYS  71 119.922  -6.819  -0.131
  532   1HD   LYS  71          1HD       LYS  71 121.819  -7.728  -1.103
  533   2HD   LYS  71          2HD       LYS  71 122.474  -6.952   0.340
  534   1HE   LYS  71          1HE       LYS  71 121.624  -9.659   0.891
  535   2HE   LYS  71          2HE       LYS  71 122.787  -9.611  -0.433
  536   1HZ   LYS  71          1HZ       LYS  71 123.337  -9.481   2.261
  537   2HZ   LYS  71          2HZ       LYS  71 123.599  -7.910   1.692
  538   3HZ   LYS  71          3HZ       LYS  71 124.421  -9.212   0.991
  539    H    LYS  72           H        LYS  72 119.594  -4.461   3.803
  540    HA   LYS  72           HA       LYS  72 119.361  -5.871   6.342
  541   1HB   LYS  72          1HB       LYS  72 121.396  -4.581   6.061
  542   2HB   LYS  72          2HB       LYS  72 120.468  -3.143   5.660
  543   1HG   LYS  72          1HG       LYS  72 119.663  -4.189   8.221
  544   2HG   LYS  72          2HG       LYS  72 121.408  -3.912   8.170
  545   1HD   LYS  72          1HD       LYS  72 120.873  -1.792   8.683
  546   2HD   LYS  72          2HD       LYS  72 120.456  -1.654   6.974
  547   1HE   LYS  72          1HE       LYS  72 118.697  -0.810   8.522
  548   2HE   LYS  72          2HE       LYS  72 118.148  -2.083   7.434
  549   1HZ   LYS  72          1HZ       LYS  72 117.698  -2.100  10.048
  550   2HZ   LYS  72          2HZ       LYS  72 119.156  -2.957  10.016
  551   3HZ   LYS  72          3HZ       LYS  72 117.830  -3.514   9.126
  552    H    ALA  73           H        ALA  73 117.770  -3.643   4.318
  553    HA   ALA  73           HA       ALA  73 116.104  -2.453   6.345
  554   1HB   ALA  73          1HB       ALA  73 116.497  -2.178   3.428
  555   2HB   ALA  73          2HB       ALA  73 116.361  -0.937   4.672
  556   3HB   ALA  73          3HB       ALA  73 114.912  -1.740   4.064
  557    H    GLU  74           H        GLU  74 116.152  -5.477   5.166
  558    HA   GLU  74           HA       GLU  74 114.648  -7.178   5.170
  559   1HB   GLU  74          1HB       GLU  74 112.636  -5.166   6.184
  560   2HB   GLU  74          2HB       GLU  74 112.529  -6.912   6.307
  561   1HG   GLU  74          1HG       GLU  74 114.546  -6.886   7.747
  562   2HG   GLU  74          2HG       GLU  74 114.505  -5.124   7.700
  563    H    LEU  75           H        LEU  75 114.904  -5.090   2.963
  564    HA   LEU  75           HA       LEU  75 112.676  -6.102   1.415
  565   1HB   LEU  75          1HB       LEU  75 112.812  -3.500   0.506
  566   2HB   LEU  75          2HB       LEU  75 111.528  -4.204   1.477
  567    HG   LEU  75           HG       LEU  75 113.544  -3.393   3.257
  568   1HD1  LEU  75          1HD1      LEU  75 114.619  -1.910   1.845
  569   2HD1  LEU  75          2HD1      LEU  75 113.423  -0.881   2.636
  570   3HD1  LEU  75          3HD1      LEU  75 113.130  -1.481   0.999
  571   1HD2  LEU  75          1HD2      LEU  75 110.753  -2.748   2.608
  572   2HD2  LEU  75          2HD2      LEU  75 111.630  -1.509   3.508
  573   3HD2  LEU  75          3HD2      LEU  75 111.499  -3.144   4.157
  574    H    PHE  76           H        PHE  76 114.662  -7.336   0.766
  575    HA   PHE  76           HA       PHE  76 115.808  -5.996  -1.595
  576   1HB   PHE  76          1HB       PHE  76 117.754  -6.126  -0.387
  577   2HB   PHE  76          2HB       PHE  76 117.209  -7.518   0.552
  578    HD1  PHE  76           HD1      PHE  76 118.744  -6.408  -2.589
  579    HD2  PHE  76           HD2      PHE  76 117.607  -9.758  -0.223
  580    HE1  PHE  76           HE1      PHE  76 120.106  -7.875  -4.020
  581    HE2  PHE  76           HE2      PHE  76 118.968 -11.232  -1.650
  582    HZ   PHE  76           HZ       PHE  76 120.219 -10.291  -3.552
  Start of MODEL    9
    1    HT1  PRO   9           HT1      PRO   9 101.433  13.817  -8.334
    2    HT2  PRO   9           HT2      PRO   9 101.633  12.375  -7.569
    3    HA   PRO   9           HA       PRO   9 103.439  14.157  -8.150
    4   1HB   PRO   9          1HB       PRO   9 103.715  14.222  -5.253
    5   2HB   PRO   9          2HB       PRO   9 103.784  15.553  -6.416
    6   1HG   PRO   9          1HG       PRO   9 101.718  15.216  -4.689
    7   2HG   PRO   9          2HG       PRO   9 101.534  15.960  -6.288
    8   1HD   PRO   9          1HD       PRO   9 100.919  13.147  -5.425
    9   2HD   PRO   9          2HD       PRO   9  99.957  14.243  -6.436
   10    H    GLY  10           H        GLY  10 103.151  11.551  -8.590
   11   1HA   GLY  10          1HA       GLY  10 104.960   9.936  -8.589
   12   2HA   GLY  10          2HA       GLY  10 105.249  10.339  -6.905
   13    H    LEU  11           H        LEU  11 104.904   8.558  -5.807
   14    HA   LEU  11           HA       LEU  11 102.395   7.102  -6.286
   15   1HB   LEU  11          1HB       LEU  11 103.835   5.253  -5.018
   16   2HB   LEU  11          2HB       LEU  11 103.815   5.415  -6.762
   17    HG   LEU  11           HG       LEU  11 106.074   5.056  -5.803
   18   1HD1  LEU  11          1HD1      LEU  11 106.358   7.747  -6.903
   19   2HD1  LEU  11          2HD1      LEU  11 105.331   6.677  -7.857
   20   3HD1  LEU  11          3HD1      LEU  11 106.989   6.206  -7.482
   21   1HD2  LEU  11          1HD2      LEU  11 105.287   6.911  -3.910
   22   2HD2  LEU  11          2HD2      LEU  11 106.454   7.785  -4.901
   23   3HD2  LEU  11          3HD2      LEU  11 106.911   6.264  -4.134
   24    H    GLN  12           H        GLN  12 101.574   5.931  -4.354
   25    HA   GLN  12           HA       GLN  12 101.410   7.761  -2.151
   26   1HB   GLN  12          1HB       GLN  12 100.113   5.501  -1.279
   27   2HB   GLN  12          2HB       GLN  12  99.365   6.830  -2.153
   28   1HG   GLN  12          1HG       GLN  12  99.529   5.658  -4.216
   29   2HG   GLN  12          2HG       GLN  12 100.541   4.411  -3.495
   30   1HE2  GLN  12          1HE2      GLN  12  98.410   3.573  -4.833
   31   2HE2  GLN  12          2HE2      GLN  12  97.165   3.024  -3.769
   32    H    ILE  13           H        ILE  13 102.280   7.648  -0.182
   33    HA   ILE  13           HA       ILE  13 104.387   5.668   0.235
   34    HB   ILE  13           HB       ILE  13 103.815   8.065   1.963
   35   1HG1  ILE  13          1HG1      ILE  13 104.129   8.648  -0.495
   36   2HG1  ILE  13          2HG1      ILE  13 105.258   9.399   0.630
   37   1HG2  ILE  13          1HG2      ILE  13 105.301   6.638   3.060
   38   2HG2  ILE  13          2HG2      ILE  13 106.341   7.832   2.283
   39   3HG2  ILE  13          3HG2      ILE  13 106.153   6.232   1.569
   40   1HD1  ILE  13          1HD1      ILE  13 106.444   8.669  -1.316
   41   2HD1  ILE  13          2HD1      ILE  13 105.794   7.038  -1.152
   42   3HD1  ILE  13          3HD1      ILE  13 106.918   7.666   0.054
   43    H    TYR  14           H        TYR  14 104.555   4.444   2.156
   44    HA   TYR  14           HA       TYR  14 102.312   4.477   4.017
   45   1HB   TYR  14          1HB       TYR  14 103.041   1.759   3.149
   46   2HB   TYR  14          2HB       TYR  14 101.459   2.453   3.482
   47    HD1  TYR  14           HD1      TYR  14 104.101   2.159   0.924
   48    HD2  TYR  14           HD2      TYR  14 100.046   3.177   1.707
   49    HE1  TYR  14           HE1      TYR  14 103.663   2.227  -1.490
   50    HE2  TYR  14           HE2      TYR  14  99.595   3.252  -0.712
   51    HH   TYR  14           HH       TYR  14 102.100   3.181  -3.049
   52    HA   PRO  15           HA       PRO  15 105.098   3.134   7.203
   53   1HB   PRO  15          1HB       PRO  15 103.942   0.389   7.260
   54   2HB   PRO  15          2HB       PRO  15 104.151   1.551   8.579
   55   1HG   PRO  15          1HG       PRO  15 101.742   1.098   7.533
   56   2HG   PRO  15          2HG       PRO  15 102.234   2.730   8.021
   57   1HD   PRO  15          1HD       PRO  15 102.048   1.539   5.285
   58   2HD   PRO  15          2HD       PRO  15 101.675   3.191   5.828
   59    H    TYR  16           H        TYR  16 106.816   1.427   7.747
   60    HA   TYR  16           HA       TYR  16 108.132   0.703   5.276
   61   1HB   TYR  16          1HB       TYR  16 109.725   1.538   6.691
   62   2HB   TYR  16          2HB       TYR  16 108.915   0.934   8.135
   63    HD1  TYR  16           HD1      TYR  16 110.973  -0.142   5.230
   64    HD2  TYR  16           HD2      TYR  16 109.633  -1.030   9.164
   65    HE1  TYR  16           HE1      TYR  16 112.560  -2.011   5.328
   66    HE2  TYR  16           HE2      TYR  16 111.221  -2.905   9.288
   67    HH   TYR  16           HH       TYR  16 113.435  -3.516   8.165
   68    H    GLU  17           H        GLU  17 107.512  -1.109   8.293
   69    HA   GLU  17           HA       GLU  17 108.076  -3.642   7.423
   70   1HB   GLU  17          1HB       GLU  17 106.352  -4.408   9.115
   71   2HB   GLU  17          2HB       GLU  17 107.606  -3.333   9.717
   72   1HG   GLU  17          1HG       GLU  17 105.625  -1.591   8.960
   73   2HG   GLU  17          2HG       GLU  17 104.723  -2.969   9.598
   74    H    MET  18           H        MET  18 105.318  -1.707   6.592
   75    HA   MET  18           HA       MET  18 103.677  -3.854   5.676
   76   1HB   MET  18          1HB       MET  18 103.586  -0.884   5.561
   77   2HB   MET  18          2HB       MET  18 102.612  -1.771   4.399
   78   1HG   MET  18          1HG       MET  18 102.489  -2.170   7.378
   79   2HG   MET  18          2HG       MET  18 101.396  -1.133   6.456
   80   1HE   MET  18          1HE       MET  18  99.620  -1.568   5.468
   81   2HE   MET  18          2HE       MET  18  98.635  -2.988   5.818
   82   3HE   MET  18          3HE       MET  18  99.496  -2.868   4.283
   83    H    LEU  19           H        LEU  19 106.263  -2.010   4.272
   84    HA   LEU  19           HA       LEU  19 105.601  -3.052   1.597
   85   1HB   LEU  19          1HB       LEU  19 107.887  -1.225   1.846
   86   2HB   LEU  19          2HB       LEU  19 106.578  -1.234   0.685
   87    HG   LEU  19           HG       LEU  19 106.605  -0.005   3.424
   88   1HD1  LEU  19          1HD1      LEU  19 106.342   2.048   2.317
   89   2HD1  LEU  19          2HD1      LEU  19 105.928   1.265   0.791
   90   3HD1  LEU  19          3HD1      LEU  19 107.579   1.184   1.405
   91   1HD2  LEU  19          1HD2      LEU  19 104.414  -0.266   3.596
   92   2HD2  LEU  19          2HD2      LEU  19 104.390  -1.175   2.086
   93   3HD2  LEU  19          3HD2      LEU  19 104.193   0.576   2.063
   94    H    VAL  20           H        VAL  20 107.225  -4.189   4.127
   95    HA   VAL  20           HA       VAL  20 109.830  -4.688   3.259
   96    HB   VAL  20           HB       VAL  20 108.192  -6.662   4.842
   97   1HG1  VAL  20          1HG1      VAL  20 110.364  -7.119   5.916
   98   2HG1  VAL  20          2HG1      VAL  20 111.126  -5.995   4.793
   99   3HG1  VAL  20          3HG1      VAL  20 110.374  -7.476   4.187
  100   1HG2  VAL  20          1HG2      VAL  20 108.108  -5.339   6.610
  101   2HG2  VAL  20          2HG2      VAL  20 108.489  -4.011   5.510
  102   3HG2  VAL  20          3HG2      VAL  20 109.779  -4.816   6.404
  103    H    VAL  21           H        VAL  21 110.727  -6.738   2.392
  104    HA   VAL  21           HA       VAL  21 109.019  -7.637   0.213
  105    HB   VAL  21           HB       VAL  21 111.953  -8.173   0.651
  106   1HG1  VAL  21          1HG1      VAL  21 110.011  -8.926  -1.439
  107   2HG1  VAL  21          2HG1      VAL  21 111.495  -9.727  -0.926
  108   3HG1  VAL  21          3HG1      VAL  21 111.572  -8.336  -2.007
  109   1HG2  VAL  21          1HG2      VAL  21 112.455  -6.320  -0.676
  110   2HG2  VAL  21          2HG2      VAL  21 111.182  -5.742   0.397
  111   3HG2  VAL  21          3HG2      VAL  21 110.801  -6.180  -1.269
  112    H    THR  22           H        THR  22 111.401  -9.372   2.268
  113    HA   THR  22           HA       THR  22 109.667 -11.727   2.011
  114    HB   THR  22           HB       THR  22 112.103 -11.719   1.234
  115    HG1  THR  22           HG1      THR  22 112.333 -13.885   1.930
  116   1HG2  THR  22          1HG2      THR  22 113.115 -10.735   3.240
  117   2HG2  THR  22          2HG2      THR  22 113.785 -12.318   2.845
  118   3HG2  THR  22          3HG2      THR  22 112.624 -12.156   4.162
  119    H    ASN  23           H        ASN  23 111.669 -10.112   4.449
  120    HA   ASN  23           HA       ASN  23 111.160 -11.650   6.634
  121   1HB   ASN  23          1HB       ASN  23 111.411  -8.643   6.583
  122   2HB   ASN  23          2HB       ASN  23 111.637  -9.668   8.001
  123   1HD2  ASN  23          1HD2      ASN  23 112.907  -8.760   4.886
  124   2HD2  ASN  23          2HD2      ASN  23 114.504  -9.371   5.134
  125    H    LYS  24           H        LYS  24 109.026  -9.089   5.386
  126    HA   LYS  24           HA       LYS  24 107.055  -9.960   7.397
  127   1HB   LYS  24          1HB       LYS  24 107.904  -7.301   6.528
  128   2HB   LYS  24          2HB       LYS  24 106.155  -7.503   6.573
  129   1HG   LYS  24          1HG       LYS  24 106.927  -6.628   8.673
  130   2HG   LYS  24          2HG       LYS  24 106.340  -8.275   8.907
  131   1HD   LYS  24          1HD       LYS  24 108.423  -7.903  10.127
  132   2HD   LYS  24          2HD       LYS  24 108.639  -9.106   8.854
  133   1HE   LYS  24          1HE       LYS  24 110.194  -7.873   7.839
  134   2HE   LYS  24          2HE       LYS  24 109.176  -6.434   7.886
  135   1HZ   LYS  24          1HZ       LYS  24 111.089  -5.935   9.131
  136   2HZ   LYS  24          2HZ       LYS  24 111.047  -7.405   9.966
  137   3HZ   LYS  24          3HZ       LYS  24 109.879  -6.222  10.278
  138    H    GLY  25           H        GLY  25 107.478 -11.067   4.661
  139   1HA   GLY  25          1HA       GLY  25 105.209 -11.957   3.807
  140   2HA   GLY  25          2HA       GLY  25 104.931 -10.270   3.412
  141    H    ARG  26           H        ARG  26 104.821 -10.392   1.243
  142    HA   ARG  26           HA       ARG  26 107.293 -10.984  -0.175
  143   1HB   ARG  26          1HB       ARG  26 104.758 -12.046  -1.340
  144   2HB   ARG  26          2HB       ARG  26 106.412 -12.560  -1.605
  145   1HG   ARG  26          1HG       ARG  26 105.483 -14.311  -0.412
  146   2HG   ARG  26          2HG       ARG  26 106.342 -13.385   0.820
  147   1HD   ARG  26          1HD       ARG  26 104.437 -12.745   1.856
  148   2HD   ARG  26          2HD       ARG  26 103.543 -12.602   0.345
  149    HE   ARG  26           HE       ARG  26 102.824 -14.763   0.598
  150   1HH1  ARG  26          1HH1      ARG  26 105.461 -14.172   2.807
  151   2HH1  ARG  26          2HH1      ARG  26 105.252 -15.668   3.653
  152   1HH2  ARG  26          1HH2      ARG  26 102.548 -16.732   1.710
  153   2HH2  ARG  26          2HH2      ARG  26 103.599 -17.122   3.030
  154    H    THR  27           H        THR  27 103.901 -10.341  -1.017
  155    HA   THR  27           HA       THR  27 104.675  -7.783  -2.208
  156    HB   THR  27           HB       THR  27 104.485  -9.922  -3.737
  157    HG1  THR  27           HG1      THR  27 104.180  -8.531  -5.432
  158   1HG2  THR  27          1HG2      THR  27 102.484 -10.512  -4.571
  159   2HG2  THR  27          2HG2      THR  27 101.780  -8.915  -4.320
  160   3HG2  THR  27          3HG2      THR  27 101.959 -10.026  -2.961
  161    H    LYS  28           H        LYS  28 103.073  -8.995   0.064
  162    HA   LYS  28           HA       LYS  28 100.369  -8.198  -0.394
  163   1HB   LYS  28          1HB       LYS  28 101.867  -9.147   2.026
  164   2HB   LYS  28          2HB       LYS  28 100.162  -8.710   2.082
  165   1HG   LYS  28          1HG       LYS  28 100.627 -11.155   1.827
  166   2HG   LYS  28          2HG       LYS  28  99.574 -10.463   0.593
  167   1HD   LYS  28          1HD       LYS  28 101.404 -10.379  -0.986
  168   2HD   LYS  28          2HD       LYS  28 102.540 -10.915   0.254
  169   1HE   LYS  28          1HE       LYS  28 101.571 -13.073   0.340
  170   2HE   LYS  28          2HE       LYS  28 100.162 -12.556  -0.585
  171   1HZ   LYS  28          1HZ       LYS  28 101.213 -12.932  -2.494
  172   2HZ   LYS  28          2HZ       LYS  28 102.380 -13.764  -1.596
  173   3HZ   LYS  28          3HZ       LYS  28 102.622 -12.138  -1.993
  174    H    LEU  29           H        LEU  29 102.720  -6.139  -0.298
  175    HA   LEU  29           HA       LEU  29 102.304  -4.450   1.898
  176   1HB   LEU  29          1HB       LEU  29 102.710  -2.925  -0.545
  177   2HB   LEU  29          2HB       LEU  29 103.637  -2.925   0.936
  178    HG   LEU  29           HG       LEU  29 105.048  -3.446  -0.923
  179   1HD1  LEU  29          1HD1      LEU  29 105.250  -6.128  -0.107
  180   2HD1  LEU  29          2HD1      LEU  29 104.629  -5.255   1.296
  181   3HD1  LEU  29          3HD1      LEU  29 106.135  -4.745   0.535
  182   1HD2  LEU  29          1HD2      LEU  29 102.809  -4.757  -1.899
  183   2HD2  LEU  29          2HD2      LEU  29 104.018  -6.021  -1.656
  184   3HD2  LEU  29          3HD2      LEU  29 104.396  -4.620  -2.653
  185    HA   PRO  30           HA       PRO  30  98.544  -2.232   1.339
  186   1HB   PRO  30          1HB       PRO  30 100.028   0.301   0.905
  187   2HB   PRO  30          2HB       PRO  30  98.833  -0.103   2.145
  188   1HG   PRO  30          1HG       PRO  30 101.440   0.108   2.733
  189   2HG   PRO  30          2HG       PRO  30 100.401  -1.096   3.523
  190   1HD   PRO  30          1HD       PRO  30 102.415  -1.465   1.336
  191   2HD   PRO  30          2HD       PRO  30 102.013  -2.534   2.698
  192    HA   PRO  31           HA       PRO  31  97.821  -1.245  -2.934
  193   1HB   PRO  31          1HB       PRO  31  96.671   1.400  -2.591
  194   2HB   PRO  31          2HB       PRO  31  95.853  -0.127  -2.937
  195   1HG   PRO  31          1HG       PRO  31  95.605   1.199  -0.571
  196   2HG   PRO  31          2HG       PRO  31  95.451  -0.560  -0.724
  197   1HD   PRO  31          1HD       PRO  31  97.789   1.065   0.213
  198   2HD   PRO  31          2HD       PRO  31  97.144  -0.461   0.860
  199    H    GLY  32           H        GLY  32  99.474  -0.849  -4.300
  200   1HA   GLY  32          1HA       GLY  32 100.620   0.660  -5.738
  201   2HA   GLY  32          2HA       GLY  32 100.457   1.909  -4.515
  202    H    VAL  33           H        VAL  33 101.651  -1.367  -4.003
  203    HA   VAL  33           HA       VAL  33 104.393  -0.383  -3.675
  204    HB   VAL  33           HB       VAL  33 103.567  -2.314  -1.664
  205   1HG1  VAL  33          1HG1      VAL  33 105.304  -1.467  -0.545
  206   2HG1  VAL  33          2HG1      VAL  33 104.860   0.198  -0.912
  207   3HG1  VAL  33          3HG1      VAL  33 105.726  -0.768  -2.106
  208   1HG2  VAL  33          1HG2      VAL  33 102.801  -0.193  -0.252
  209   2HG2  VAL  33          2HG2      VAL  33 101.657  -1.175  -1.160
  210   3HG2  VAL  33          3HG2      VAL  33 102.248   0.338  -1.838
  211    H    ASP  34           H        ASP  34 105.805  -1.636  -4.639
  212    HA   ASP  34           HA       ASP  34 105.307  -4.504  -4.871
  213   1HB   ASP  34          1HB       ASP  34 104.584  -2.972  -6.960
  214   2HB   ASP  34          2HB       ASP  34 106.292  -3.188  -7.345
  215    H    ARG  35           H        ARG  35 107.176  -5.753  -5.152
  216    HA   ARG  35           HA       ARG  35 109.473  -4.939  -3.881
  217   1HB   ARG  35          1HB       ARG  35 108.895  -7.125  -5.839
  218   2HB   ARG  35          2HB       ARG  35 110.553  -6.845  -5.328
  219   1HG   ARG  35          1HG       ARG  35 110.216  -7.877  -3.394
  220   2HG   ARG  35          2HG       ARG  35 108.770  -6.917  -3.061
  221   1HD   ARG  35          1HD       ARG  35 108.225  -9.281  -3.137
  222   2HD   ARG  35          2HD       ARG  35 107.452  -8.427  -4.469
  223    HE   ARG  35           HE       ARG  35 109.707 -10.290  -4.665
  224   1HH1  ARG  35          1HH1      ARG  35 107.336  -8.268  -6.258
  225   2HH1  ARG  35          2HH1      ARG  35 107.590  -8.990  -7.809
  226   1HH2  ARG  35          1HH2      ARG  35 110.033 -11.229  -6.707
  227   2HH2  ARG  35          2HH2      ARG  35 109.117 -10.666  -8.065
  228    H    MET  36           H        MET  36 108.520  -4.330  -7.154
  229    HA   MET  36           HA       MET  36 110.940  -3.903  -8.418
  230   1HB   MET  36          1HB       MET  36 108.267  -2.552  -8.732
  231   2HB   MET  36          2HB       MET  36 109.635  -2.160  -9.764
  232   1HG   MET  36          1HG       MET  36 109.479  -4.942  -9.799
  233   2HG   MET  36          2HG       MET  36 107.806  -4.381  -9.892
  234   1HE   MET  36          1HE       MET  36 107.164  -3.229 -13.150
  235   2HE   MET  36          2HE       MET  36 106.702  -3.944 -11.606
  236   3HE   MET  36          3HE       MET  36 107.339  -4.965 -12.895
  237    H    ARG  37           H        ARG  37 109.150  -1.739  -6.268
  238    HA   ARG  37           HA       ARG  37 111.578  -0.196  -5.854
  239   1HB   ARG  37          1HB       ARG  37 110.218   1.957  -6.139
  240   2HB   ARG  37          2HB       ARG  37 110.742   1.127  -7.596
  241   1HG   ARG  37          1HG       ARG  37 108.095   0.342  -6.592
  242   2HG   ARG  37          2HG       ARG  37 108.230   2.006  -7.162
  243   1HD   ARG  37          1HD       ARG  37 109.124   1.204  -9.291
  244   2HD   ARG  37          2HD       ARG  37 109.002  -0.460  -8.719
  245    HE   ARG  37           HE       ARG  37 106.500   0.902  -8.587
  246   1HH1  ARG  37          1HH1      ARG  37 108.680  -0.735 -10.766
  247   2HH1  ARG  37          2HH1      ARG  37 107.429  -1.197 -11.869
  248   1HH2  ARG  37          1HH2      ARG  37 104.853   0.296 -10.039
  249   2HH2  ARG  37          2HH2      ARG  37 105.257  -0.610 -11.459
  250    H    LEU  38           H        LEU  38 110.645  -1.812  -3.978
  251    HA   LEU  38           HA       LEU  38 108.657  -0.700  -2.290
  252   1HB   LEU  38          1HB       LEU  38 110.693  -2.860  -2.047
  253   2HB   LEU  38          2HB       LEU  38 109.949  -2.250  -0.575
  254    HG   LEU  38           HG       LEU  38 108.451  -3.398  -2.936
  255   1HD1  LEU  38          1HD1      LEU  38 109.211  -5.323  -2.036
  256   2HD1  LEU  38          2HD1      LEU  38 107.920  -5.039  -0.871
  257   3HD1  LEU  38          3HD1      LEU  38 109.577  -4.579  -0.480
  258   1HD2  LEU  38          1HD2      LEU  38 106.989  -3.255  -0.475
  259   2HD2  LEU  38          2HD2      LEU  38 106.597  -2.588  -2.058
  260   3HD2  LEU  38          3HD2      LEU  38 107.583  -1.658  -0.931
  261    H    GLU  39           H        GLU  39 112.116  -0.260  -2.562
  262    HA   GLU  39           HA       GLU  39 112.363   1.168  -0.088
  263   1HB   GLU  39          1HB       GLU  39 114.631   1.346  -0.541
  264   2HB   GLU  39          2HB       GLU  39 114.194  -0.167  -1.322
  265   1HG   GLU  39          1HG       GLU  39 114.530   2.494  -2.686
  266   2HG   GLU  39          2HG       GLU  39 115.682   1.161  -2.708
  267    H    ARG  40           H        ARG  40 110.669   2.008  -2.649
  268    HA   ARG  40           HA       ARG  40 111.507   4.830  -2.555
  269   1HB   ARG  40          1HB       ARG  40 111.422   3.242  -4.772
  270   2HB   ARG  40          2HB       ARG  40 109.821   3.969  -4.809
  271   1HG   ARG  40          1HG       ARG  40 112.162   5.748  -4.383
  272   2HG   ARG  40          2HG       ARG  40 111.880   5.097  -5.999
  273   1HD   ARG  40          1HD       ARG  40 109.714   6.077  -6.101
  274   2HD   ARG  40          2HD       ARG  40 109.761   6.508  -4.393
  275    HE   ARG  40           HE       ARG  40 111.853   7.710  -5.961
  276   1HH1  ARG  40          1HH1      ARG  40 108.561   8.029  -4.844
  277   2HH1  ARG  40          2HH1      ARG  40 108.537   9.751  -5.020
  278   1HH2  ARG  40          1HH2      ARG  40 111.821   9.975  -6.193
  279   2HH2  ARG  40          2HH2      ARG  40 110.387  10.856  -5.787
  280    H    HIS  41           H        HIS  41 109.168   2.557  -1.809
  281    HA   HIS  41           HA       HIS  41 106.906   4.364  -1.892
  282   1HB   HIS  41          1HB       HIS  41 107.287   1.463  -1.171
  283   2HB   HIS  41          2HB       HIS  41 105.767   2.301  -0.904
  284    HD1  HIS  41           HD1      HIS  41 105.193   3.758  -3.385
  285    HD2  HIS  41           HD2      HIS  41 107.057   0.046  -3.445
  286    HE1  HIS  41           HE1      HIS  41 104.805   2.847  -5.696
  287    HE2  HIS  41           HE2      HIS  41 106.018   0.640  -5.737
  288    H    LEU  42           H        LEU  42 109.448   3.835   0.153
  289    HA   LEU  42           HA       LEU  42 108.045   4.028   2.656
  290   1HB   LEU  42          1HB       LEU  42 110.967   4.126   1.914
  291   2HB   LEU  42          2HB       LEU  42 110.368   4.185   3.567
  292    HG   LEU  42           HG       LEU  42 109.320   1.916   2.062
  293   1HD1  LEU  42          1HD1      LEU  42 111.968   2.478   1.502
  294   2HD1  LEU  42          2HD1      LEU  42 111.153   0.924   1.316
  295   3HD1  LEU  42          3HD1      LEU  42 112.043   1.279   2.798
  296   1HD2  LEU  42          1HD2      LEU  42 109.228   2.416   4.529
  297   2HD2  LEU  42          2HD2      LEU  42 110.932   1.963   4.580
  298   3HD2  LEU  42          3HD2      LEU  42 109.719   0.787   4.069
  299    H    SER  43           H        SER  43 108.016   5.798   4.016
  300    HA   SER  43           HA       SER  43 108.149   8.363   2.714
  301   1HB   SER  43          1HB       SER  43 106.337   8.229   4.183
  302   2HB   SER  43          2HB       SER  43 107.284   7.408   5.428
  303    HG   SER  43           HG       SER  43 106.886   9.594   5.962
  304    H    ALA  44           H        ALA  44 109.292  10.209   3.681
  305    HA   ALA  44           HA       ALA  44 112.013   9.866   3.794
  306   1HB   ALA  44          1HB       ALA  44 110.598  12.032   3.639
  307   2HB   ALA  44          2HB       ALA  44 112.190  12.101   4.395
  308   3HB   ALA  44          3HB       ALA  44 110.739  12.051   5.397
  309    H    GLU  45           H        GLU  45 109.688   9.448   6.339
  310    HA   GLU  45           HA       GLU  45 111.649   9.362   8.455
  311   1HB   GLU  45          1HB       GLU  45 109.129   8.005   9.037
  312   2HB   GLU  45          2HB       GLU  45 109.884   9.360   9.855
  313   1HG   GLU  45          1HG       GLU  45 109.005  10.675   7.747
  314   2HG   GLU  45          2HG       GLU  45 107.864   9.331   7.688
  315    H    ASP  46           H        ASP  46 109.570   7.019   6.809
  316    HA   ASP  46           HA       ASP  46 110.581   4.707   7.988
  317   1HB   ASP  46          1HB       ASP  46 109.506   4.980   5.174
  318   2HB   ASP  46          2HB       ASP  46 109.584   3.500   6.129
  319    H    PHE  47           H        PHE  47 111.464   6.166   4.840
  320    HA   PHE  47           HA       PHE  47 113.497   4.384   4.188
  321   1HB   PHE  47          1HB       PHE  47 112.383   6.285   2.805
  322   2HB   PHE  47          2HB       PHE  47 113.658   7.299   3.483
  323    HD1  PHE  47           HD1      PHE  47 113.117   4.128   1.640
  324    HD2  PHE  47           HD2      PHE  47 115.726   7.382   2.471
  325    HE1  PHE  47           HE1      PHE  47 114.679   3.329  -0.107
  326    HE2  PHE  47           HE2      PHE  47 117.285   6.593   0.737
  327    HZ   PHE  47           HZ       PHE  47 116.758   4.570  -0.558
  328    H    SER  48           H        SER  48 113.780   7.592   5.712
  329    HA   SER  48           HA       SER  48 116.547   7.418   6.189
  330   1HB   SER  48          1HB       SER  48 115.057   9.505   6.203
  331   2HB   SER  48          2HB       SER  48 114.640   9.053   7.857
  332    HG   SER  48           HG       SER  48 116.420  10.010   8.398
  333    H    ARG  49           H        ARG  49 113.940   5.849   7.712
  334    HA   ARG  49           HA       ARG  49 115.340   5.539  10.250
  335   1HB   ARG  49          1HB       ARG  49 112.925   5.951  10.302
  336   2HB   ARG  49          2HB       ARG  49 112.647   4.499   9.350
  337   1HG   ARG  49          1HG       ARG  49 112.273   3.587  11.368
  338   2HG   ARG  49          2HG       ARG  49 114.032   3.446  11.397
  339   1HD   ARG  49          1HD       ARG  49 114.204   5.532  12.624
  340   2HD   ARG  49          2HD       ARG  49 112.455   5.752  12.536
  341    HE   ARG  49           HE       ARG  49 113.247   3.289  13.787
  342   1HH1  ARG  49          1HH1      ARG  49 112.626   6.685  14.298
  343   2HH1  ARG  49          2HH1      ARG  49 112.283   6.496  15.986
  344   1HH2  ARG  49          1HH2      ARG  49 112.795   3.039  16.005
  345   2HH2  ARG  49          2HH2      ARG  49 112.379   4.426  16.955
  346    H    VAL  50           H        VAL  50 114.442   3.665   7.408
  347    HA   VAL  50           HA       VAL  50 115.513   1.220   8.565
  348    HB   VAL  50           HB       VAL  50 114.564   1.566   5.727
  349   1HG1  VAL  50          1HG1      VAL  50 115.885  -0.476   6.559
  350   2HG1  VAL  50          2HG1      VAL  50 114.392  -0.752   5.662
  351   3HG1  VAL  50          3HG1      VAL  50 114.405  -0.900   7.419
  352   1HG2  VAL  50          1HG2      VAL  50 112.732   0.419   7.746
  353   2HG2  VAL  50          2HG2      VAL  50 112.380   1.351   6.290
  354   3HG2  VAL  50          3HG2      VAL  50 112.929   2.171   7.753
  355    H    PHE  51           H        PHE  51 116.365   3.611   6.123
  356    HA   PHE  51           HA       PHE  51 118.847   2.129   5.586
  357   1HB   PHE  51          1HB       PHE  51 117.554   4.344   3.986
  358   2HB   PHE  51          2HB       PHE  51 119.025   3.479   3.544
  359    HD1  PHE  51           HD1      PHE  51 115.708   3.742   2.803
  360    HD2  PHE  51           HD2      PHE  51 118.614   0.773   3.694
  361    HE1  PHE  51           HE1      PHE  51 114.371   2.073   1.575
  362    HE2  PHE  51           HE2      PHE  51 117.286  -0.898   2.467
  363    HZ   PHE  51           HZ       PHE  51 115.170  -0.242   1.404
  364    H    ALA  52           H        ALA  52 117.601   5.274   6.589
  365    HA   ALA  52           HA       ALA  52 118.614   6.933   7.817
  366   1HB   ALA  52          1HB       ALA  52 121.237   5.506   7.662
  367   2HB   ALA  52          2HB       ALA  52 119.969   4.962   8.761
  368   3HB   ALA  52          3HB       ALA  52 120.636   6.587   8.920
  369    H    MET  53           H        MET  53 118.789   6.431   4.799
  370    HA   MET  53           HA       MET  53 120.640   8.639   4.216
  371   1HB   MET  53          1HB       MET  53 120.742   7.165   1.934
  372   2HB   MET  53          2HB       MET  53 121.959   7.143   3.206
  373   1HG   MET  53          1HG       MET  53 121.330   5.101   3.974
  374   2HG   MET  53          2HG       MET  53 119.646   5.314   3.491
  375   1HE   MET  53          1HE       MET  53 119.003   5.609   1.011
  376   2HE   MET  53          2HE       MET  53 119.794   4.767  -0.324
  377   3HE   MET  53          3HE       MET  53 120.449   6.291   0.262
  378    H    SER  54           H        SER  54 120.178   9.726   2.198
  379    HA   SER  54           HA       SER  54 117.427  10.388   2.034
  380   1HB   SER  54          1HB       SER  54 119.198  12.037   1.668
  381   2HB   SER  54          2HB       SER  54 119.747  11.144   0.243
  382    HG   SER  54           HG       SER  54 117.191  12.349   0.575
  383    HA   PRO  55           HA       PRO  55 115.840   7.466  -0.915
  384   1HB   PRO  55          1HB       PRO  55 114.507   9.884  -2.050
  385   2HB   PRO  55          2HB       PRO  55 113.809   8.322  -1.612
  386   1HG   PRO  55          1HG       PRO  55 113.463  10.464  -0.056
  387   2HG   PRO  55          2HG       PRO  55 113.698   8.848   0.639
  388   1HD   PRO  55          1HD       PRO  55 115.588  11.142   0.495
  389   2HD   PRO  55          2HD       PRO  55 115.445   9.867   1.724
  390    H    GLU  56           H        GLU  56 117.246  10.541  -1.804
  391    HA   GLU  56           HA       GLU  56 117.705   9.796  -4.550
  392   1HB   GLU  56          1HB       GLU  56 118.686  11.930  -4.815
  393   2HB   GLU  56          2HB       GLU  56 117.364  12.174  -3.678
  394   1HG   GLU  56          1HG       GLU  56 119.113  11.921  -1.845
  395   2HG   GLU  56          2HG       GLU  56 120.311  12.106  -3.130
  396    H    GLU  57           H        GLU  57 119.431   9.787  -1.507
  397    HA   GLU  57           HA       GLU  57 122.034   9.417  -2.395
  398   1HB   GLU  57          1HB       GLU  57 120.577   8.691   0.132
  399   2HB   GLU  57          2HB       GLU  57 122.139   7.942  -0.172
  400   1HG   GLU  57          1HG       GLU  57 121.793  10.901  -0.377
  401   2HG   GLU  57          2HG       GLU  57 122.055  10.112   1.178
  402    H    PHE  58           H        PHE  58 119.609   6.905  -1.608
  403    HA   PHE  58           HA       PHE  58 120.952   4.593  -2.178
  404   1HB   PHE  58          1HB       PHE  58 118.353   5.225  -1.713
  405   2HB   PHE  58          2HB       PHE  58 118.258   4.799  -3.420
  406    HD1  PHE  58           HD1      PHE  58 118.353   3.577  -0.071
  407    HD2  PHE  58           HD2      PHE  58 119.144   2.511  -4.115
  408    HE1  PHE  58           HE1      PHE  58 118.226   1.203   0.541
  409    HE2  PHE  58           HE2      PHE  58 119.013   0.129  -3.510
  410    HZ   PHE  58           HZ       PHE  58 118.556  -0.530  -1.182
  411    H    GLY  59           H        GLY  59 119.056   6.362  -4.642
  412   1HA   GLY  59          1HA       GLY  59 119.880   4.886  -6.846
  413   2HA   GLY  59          2HA       GLY  59 119.337   6.556  -6.911
  414    H    LYS  60           H        LYS  60 121.644   7.267  -5.057
  415    HA   LYS  60           HA       LYS  60 123.635   7.489  -7.195
  416   1HB   LYS  60          1HB       LYS  60 122.964   9.128  -4.790
  417   2HB   LYS  60          2HB       LYS  60 124.611   9.180  -5.416
  418   1HG   LYS  60          1HG       LYS  60 123.175   9.529  -7.692
  419   2HG   LYS  60          2HG       LYS  60 122.138  10.322  -6.500
  420   1HD   LYS  60          1HD       LYS  60 123.487  12.083  -7.011
  421   2HD   LYS  60          2HD       LYS  60 124.475  11.352  -5.743
  422   1HE   LYS  60          1HE       LYS  60 124.998  10.184  -8.348
  423   2HE   LYS  60          2HE       LYS  60 125.266  11.926  -8.339
  424   1HZ   LYS  60          1HZ       LYS  60 127.276  10.779  -7.738
  425   2HZ   LYS  60          2HZ       LYS  60 126.491   9.953  -6.488
  426   3HZ   LYS  60          3HZ       LYS  60 126.702  11.629  -6.391
  427    H    LEU  61           H        LEU  61 123.071   5.406  -4.763
  428    HA   LEU  61           HA       LEU  61 125.678   5.290  -3.589
  429   1HB   LEU  61          1HB       LEU  61 123.293   3.438  -3.445
  430   2HB   LEU  61          2HB       LEU  61 124.733   3.279  -2.465
  431    HG   LEU  61           HG       LEU  61 122.689   5.456  -2.347
  432   1HD1  LEU  61          1HD1      LEU  61 123.496   4.206   0.117
  433   2HD1  LEU  61          2HD1      LEU  61 122.916   3.024  -1.056
  434   3HD1  LEU  61          3HD1      LEU  61 121.894   4.379  -0.596
  435   1HD2  LEU  61          1HD2      LEU  61 124.620   6.704  -2.060
  436   2HD2  LEU  61          2HD2      LEU  61 125.481   5.373  -1.286
  437   3HD2  LEU  61          3HD2      LEU  61 124.219   6.236  -0.407
  438    H    ALA  62           H        ALA  62 125.544   2.288  -3.649
  439    HA   ALA  62           HA       ALA  62 126.467   1.834  -6.401
  440   1HB   ALA  62          1HB       ALA  62 127.771   0.588  -3.999
  441   2HB   ALA  62          2HB       ALA  62 128.331   2.096  -4.719
  442   3HB   ALA  62          3HB       ALA  62 128.346   0.607  -5.664
  443    H    LEU  63           H        LEU  63 126.688  -0.580  -6.863
  444    HA   LEU  63           HA       LEU  63 124.159  -1.796  -6.519
  445   1HB   LEU  63          1HB       LEU  63 125.825  -2.091  -8.415
  446   2HB   LEU  63          2HB       LEU  63 126.673  -3.209  -7.363
  447    HG   LEU  63           HG       LEU  63 123.895  -3.918  -7.458
  448   1HD1  LEU  63          1HD1      LEU  63 123.728  -4.539  -9.812
  449   2HD1  LEU  63          2HD1      LEU  63 125.256  -3.722 -10.139
  450   3HD1  LEU  63          3HD1      LEU  63 123.852  -2.792  -9.612
  451   1HD2  LEU  63          1HD2      LEU  63 125.990  -5.544  -8.780
  452   2HD2  LEU  63          2HD2      LEU  63 124.741  -6.019  -7.629
  453   3HD2  LEU  63          3HD2      LEU  63 126.193  -5.192  -7.063
  454    H    TRP  64           H        TRP  64 127.139  -2.034  -4.743
  455    HA   TRP  64           HA       TRP  64 126.317  -4.402  -3.310
  456   1HB   TRP  64          1HB       TRP  64 128.507  -3.960  -2.123
  457   2HB   TRP  64          2HB       TRP  64 128.645  -4.233  -3.866
  458    HD1  TRP  64           HD1      TRP  64 129.596  -2.250  -5.306
  459    HE1  TRP  64           HE1      TRP  64 130.485   0.091  -4.727
  460    HE3  TRP  64           HE3      TRP  64 128.029  -2.049  -0.574
  461    HZ2  TRP  64           HZ2      TRP  64 130.509   1.805  -2.429
  462    HZ3  TRP  64           HZ3      TRP  64 128.520  -0.027   0.789
  463    HH2  TRP  64           HH2      TRP  64 129.719   1.852  -0.133
  464    H    LYS  65           H        LYS  65 126.550  -0.960  -2.995
  465    HA   LYS  65           HA       LYS  65 125.965  -0.849  -0.194
  466   1HB   LYS  65          1HB       LYS  65 126.903   0.979  -1.955
  467   2HB   LYS  65          2HB       LYS  65 125.204   1.444  -1.915
  468   1HG   LYS  65          1HG       LYS  65 126.954   1.178   0.522
  469   2HG   LYS  65          2HG       LYS  65 126.618   2.695  -0.317
  470   1HD   LYS  65          1HD       LYS  65 124.138   2.071   0.051
  471   2HD   LYS  65          2HD       LYS  65 124.762   0.950   1.265
  472   1HE   LYS  65          1HE       LYS  65 125.663   3.797   1.293
  473   2HE   LYS  65          2HE       LYS  65 124.063   3.388   1.928
  474   1HZ   LYS  65          1HZ       LYS  65 125.558   1.548   3.131
  475   2HZ   LYS  65          2HZ       LYS  65 125.233   3.065   3.808
  476   3HZ   LYS  65          3HZ       LYS  65 126.695   2.794   3.004
  477    H    ARG  66           H        ARG  66 124.034  -0.102  -3.103
  478    HA   ARG  66           HA       ARG  66 121.559   0.278  -1.943
  479   1HB   ARG  66          1HB       ARG  66 122.237  -1.070  -4.559
  480   2HB   ARG  66          2HB       ARG  66 120.616  -0.570  -4.103
  481   1HG   ARG  66          1HG       ARG  66 121.335   1.741  -4.001
  482   2HG   ARG  66          2HG       ARG  66 122.983   1.251  -4.399
  483   1HD   ARG  66          1HD       ARG  66 120.611   0.702  -6.175
  484   2HD   ARG  66          2HD       ARG  66 121.620   2.149  -6.321
  485    HE   ARG  66           HE       ARG  66 123.330  -0.025  -6.390
  486   1HH1  ARG  66          1HH1      ARG  66 120.683   1.214  -8.295
  487   2HH1  ARG  66          2HH1      ARG  66 121.278   0.552  -9.781
  488   1HH2  ARG  66          1HH2      ARG  66 124.115  -0.898  -8.341
  489   2HH2  ARG  66          2HH2      ARG  66 123.227  -0.649  -9.807
  490    H    ASN  67           H        ASN  67 123.102  -2.708  -2.956
  491    HA   ASN  67           HA       ASN  67 121.035  -4.496  -2.387
  492   1HB   ASN  67          1HB       ASN  67 123.944  -4.669  -2.781
  493   2HB   ASN  67          2HB       ASN  67 123.277  -5.956  -1.775
  494   1HD2  ASN  67          1HD2      ASN  67 122.669  -4.253  -4.823
  495   2HD2  ASN  67          2HD2      ASN  67 122.136  -5.646  -5.694
  496    H    GLU  68           H        GLU  68 123.901  -4.036  -0.327
  497    HA   GLU  68           HA       GLU  68 123.143  -5.318   1.917
  498   1HB   GLU  68          1HB       GLU  68 125.168  -3.569   1.260
  499   2HB   GLU  68          2HB       GLU  68 124.349  -2.739   2.575
  500   1HG   GLU  68          1HG       GLU  68 125.469  -5.531   2.657
  501   2HG   GLU  68          2HG       GLU  68 126.166  -4.098   3.412
  502    H    LEU  69           H        LEU  69 122.118  -2.047   1.013
  503    HA   LEU  69           HA       LEU  69 120.785  -1.458   3.425
  504   1HB   LEU  69          1HB       LEU  69 119.984  -0.443   0.713
  505   2HB   LEU  69          2HB       LEU  69 119.737   0.328   2.268
  506    HG   LEU  69           HG       LEU  69 122.508  -0.211   1.466
  507   1HD1  LEU  69          1HD1      LEU  69 120.792   1.051  -0.312
  508   2HD1  LEU  69          2HD1      LEU  69 122.552   1.078  -0.334
  509   3HD1  LEU  69          3HD1      LEU  69 121.660   2.352   0.491
  510   1HD2  LEU  69          1HD2      LEU  69 122.585   0.874   3.443
  511   2HD2  LEU  69          2HD2      LEU  69 121.007   1.625   3.208
  512   3HD2  LEU  69          3HD2      LEU  69 122.431   2.300   2.416
  513    H    LYS  70           H        LYS  70 119.395  -2.318   0.293
  514    HA   LYS  70           HA       LYS  70 116.793  -2.904   1.233
  515   1HB   LYS  70          1HB       LYS  70 118.371  -3.591  -1.217
  516   2HB   LYS  70          2HB       LYS  70 116.845  -4.406  -0.930
  517   1HG   LYS  70          1HG       LYS  70 115.610  -2.553  -1.335
  518   2HG   LYS  70          2HG       LYS  70 116.844  -1.461  -0.694
  519   1HD   LYS  70          1HD       LYS  70 116.702  -1.090  -3.050
  520   2HD   LYS  70          2HD       LYS  70 118.211  -1.948  -2.736
  521   1HE   LYS  70          1HE       LYS  70 116.148  -3.866  -3.167
  522   2HE   LYS  70          2HE       LYS  70 116.091  -2.679  -4.470
  523   1HZ   LYS  70          1HZ       LYS  70 118.562  -4.087  -3.623
  524   2HZ   LYS  70          2HZ       LYS  70 118.366  -3.099  -4.981
  525   3HZ   LYS  70          3HZ       LYS  70 117.577  -4.594  -4.904
  526    H    LYS  71           H        LYS  71 119.758  -4.609   1.412
  527    HA   LYS  71           HA       LYS  71 118.584  -7.214   1.829
  528   1HB   LYS  71          1HB       LYS  71 121.410  -6.136   1.930
  529   2HB   LYS  71          2HB       LYS  71 121.016  -7.808   2.333
  530   1HG   LYS  71          1HG       LYS  71 119.927  -6.890  -0.221
  531   2HG   LYS  71          2HG       LYS  71 121.688  -6.895  -0.137
  532   1HD   LYS  71          1HD       LYS  71 120.058  -9.264   0.731
  533   2HD   LYS  71          2HD       LYS  71 120.535  -9.030  -0.952
  534   1HE   LYS  71          1HE       LYS  71 122.448  -9.120   1.376
  535   2HE   LYS  71          2HE       LYS  71 122.082 -10.490   0.330
  536   1HZ   LYS  71          1HZ       LYS  71 123.843  -9.731  -0.809
  537   2HZ   LYS  71          2HZ       LYS  71 123.737  -8.167  -0.175
  538   3HZ   LYS  71          3HZ       LYS  71 122.742  -8.626  -1.464
  539    H    LYS  72           H        LYS  72 119.780  -4.556   3.742
  540    HA   LYS  72           HA       LYS  72 119.566  -6.101   6.203
  541   1HB   LYS  72          1HB       LYS  72 121.565  -4.773   6.053
  542   2HB   LYS  72          2HB       LYS  72 120.642  -3.339   5.626
  543   1HG   LYS  72          1HG       LYS  72 119.743  -4.395   8.146
  544   2HG   LYS  72          2HG       LYS  72 121.491  -4.134   8.167
  545   1HD   LYS  72          1HD       LYS  72 121.157  -1.951   8.430
  546   2HD   LYS  72          2HD       LYS  72 120.292  -1.894   6.895
  547   1HE   LYS  72          1HE       LYS  72 118.800  -1.032   8.503
  548   2HE   LYS  72          2HE       LYS  72 118.250  -2.674   8.174
  549   1HZ   LYS  72          1HZ       LYS  72 118.252  -2.808  10.403
  550   2HZ   LYS  72          2HZ       LYS  72 119.357  -1.544  10.605
  551   3HZ   LYS  72          3HZ       LYS  72 119.909  -3.095  10.215
  552    H    ALA  73           H        ALA  73 117.946  -3.783   4.297
  553    HA   ALA  73           HA       ALA  73 116.241  -2.735   6.358
  554   1HB   ALA  73          1HB       ALA  73 116.578  -2.381   3.435
  555   2HB   ALA  73          2HB       ALA  73 116.499  -1.172   4.715
  556   3HB   ALA  73          3HB       ALA  73 115.022  -1.946   4.140
  557    H    GLU  74           H        GLU  74 116.366  -5.711   5.044
  558    HA   GLU  74           HA       GLU  74 114.911  -7.454   5.006
  559   1HB   GLU  74          1HB       GLU  74 112.855  -5.515   6.083
  560   2HB   GLU  74          2HB       GLU  74 112.749  -7.267   6.104
  561   1HG   GLU  74          1HG       GLU  74 114.742  -5.588   7.604
  562   2HG   GLU  74          2HG       GLU  74 113.346  -6.421   8.287
  563    H    LEU  75           H        LEU  75 115.028  -5.126   2.932
  564    HA   LEU  75           HA       LEU  75 112.891  -6.231   1.307
  565   1HB   LEU  75          1HB       LEU  75 112.904  -3.593   0.500
  566   2HB   LEU  75          2HB       LEU  75 111.649  -4.401   1.432
  567    HG   LEU  75           HG       LEU  75 113.567  -3.575   3.285
  568   1HD1  LEU  75          1HD1      LEU  75 114.656  -2.053   1.895
  569   2HD1  LEU  75          2HD1      LEU  75 113.485  -1.067   2.775
  570   3HD1  LEU  75          3HD1      LEU  75 113.154  -1.560   1.109
  571   1HD2  LEU  75          1HD2      LEU  75 111.444  -3.442   4.067
  572   2HD2  LEU  75          2HD2      LEU  75 110.795  -2.891   2.522
  573   3HD2  LEU  75          3HD2      LEU  75 111.632  -1.756   3.583
  574    H    PHE  76           H        PHE  76 114.905  -7.347   0.550
  575    HA   PHE  76           HA       PHE  76 116.052  -5.793  -1.672
  576   1HB   PHE  76          1HB       PHE  76 118.031  -6.129  -0.615
  577   2HB   PHE  76          2HB       PHE  76 117.401  -7.458   0.360
  578    HD1  PHE  76           HD1      PHE  76 119.125  -6.513  -2.701
  579    HD2  PHE  76           HD2      PHE  76 117.436  -9.749  -0.513
  580    HE1  PHE  76           HE1      PHE  76 120.332  -8.108  -4.133
  581    HE2  PHE  76           HE2      PHE  76 118.641 -11.349  -1.941
  582    HZ   PHE  76           HZ       PHE  76 120.092 -10.528  -3.754
  Start of MODEL   10
    1    HT1  PRO   9           HT1      PRO   9 101.357  13.616  -7.528
    2    HT2  PRO   9           HT2      PRO   9 102.685  13.697  -6.560
    3    HA   PRO   9           HA       PRO   9 102.409  13.821  -9.315
    4   1HB   PRO   9          1HB       PRO   9 104.715  15.398  -8.796
    5   2HB   PRO   9          2HB       PRO   9 103.259  15.868  -9.682
    6   1HG   PRO   9          1HG       PRO   9 103.973  16.329  -6.838
    7   2HG   PRO   9          2HG       PRO   9 102.990  17.320  -7.928
    8   1HD   PRO   9          1HD       PRO   9 101.845  15.885  -5.995
    9   2HD   PRO   9          2HD       PRO   9 101.082  16.018  -7.592
   10    H    GLY  10           H        GLY  10 102.832  11.834  -7.365
   11   1HA   GLY  10          1HA       GLY  10 105.375  10.800  -8.280
   12   2HA   GLY  10          2HA       GLY  10 105.309  11.124  -6.555
   13    H    LEU  11           H        LEU  11 105.252   9.199  -5.638
   14    HA   LEU  11           HA       LEU  11 103.207   7.298  -6.561
   15   1HB   LEU  11          1HB       LEU  11 104.894   5.731  -5.156
   16   2HB   LEU  11          2HB       LEU  11 104.956   5.942  -6.895
   17    HG   LEU  11           HG       LEU  11 106.588   7.929  -6.238
   18   1HD1  LEU  11          1HD1      LEU  11 108.015   6.952  -4.307
   19   2HD1  LEU  11          2HD1      LEU  11 106.518   6.144  -3.841
   20   3HD1  LEU  11          3HD1      LEU  11 106.581   7.905  -3.924
   21   1HD2  LEU  11          1HD2      LEU  11 108.237   6.607  -7.045
   22   2HD2  LEU  11          2HD2      LEU  11 106.875   5.550  -7.413
   23   3HD2  LEU  11          3HD2      LEU  11 107.844   5.268  -5.967
   24    H    GLN  12           H        GLN  12 102.422   5.819  -4.828
   25    HA   GLN  12           HA       GLN  12 101.579   7.384  -2.575
   26   1HB   GLN  12          1HB       GLN  12 100.622   4.975  -1.932
   27   2HB   GLN  12          2HB       GLN  12  99.841   6.018  -3.108
   28   1HG   GLN  12          1HG       GLN  12 101.887   4.101  -4.083
   29   2HG   GLN  12          2HG       GLN  12 100.320   3.469  -3.584
   30   1HE2  GLN  12          1HE2      GLN  12  98.747   3.472  -5.026
   31   2HE2  GLN  12          2HE2      GLN  12  98.726   4.376  -6.498
   32    H    ILE  13           H        ILE  13 102.340   7.398  -0.564
   33    HA   ILE  13           HA       ILE  13 104.642   5.691   0.036
   34    HB   ILE  13           HB       ILE  13 103.752   7.950   1.787
   35   1HG1  ILE  13          1HG1      ILE  13 103.892   8.723  -0.625
   36   2HG1  ILE  13          2HG1      ILE  13 104.971   9.542   0.502
   37   1HG2  ILE  13          1HG2      ILE  13 106.302   8.077   2.025
   38   2HG2  ILE  13          2HG2      ILE  13 106.317   6.503   1.231
   39   3HG2  ILE  13          3HG2      ILE  13 105.470   6.707   2.765
   40   1HD1  ILE  13          1HD1      ILE  13 106.092   9.052  -1.590
   41   2HD1  ILE  13          2HD1      ILE  13 105.745   7.334  -1.387
   42   3HD1  ILE  13          3HD1      ILE  13 106.823   8.156  -0.257
   43    H    TYR  14           H        TYR  14 104.519   4.079   1.465
   44    HA   TYR  14           HA       TYR  14 102.255   4.025   3.351
   45   1HB   TYR  14          1HB       TYR  14 103.390   1.652   1.852
   46   2HB   TYR  14          2HB       TYR  14 102.062   1.609   3.008
   47    HD1  TYR  14           HD1      TYR  14 103.029   2.224  -0.415
   48    HD2  TYR  14           HD2      TYR  14  99.897   2.720   2.422
   49    HE1  TYR  14           HE1      TYR  14 101.436   2.601  -2.248
   50    HE2  TYR  14           HE2      TYR  14  98.295   3.100   0.598
   51    HH   TYR  14           HH       TYR  14  98.011   2.746  -1.711
   52    HA   PRO  15           HA       PRO  15 104.936   3.210   6.757
   53   1HB   PRO  15          1HB       PRO  15 103.993   0.643   7.502
   54   2HB   PRO  15          2HB       PRO  15 103.483   2.199   8.169
   55   1HG   PRO  15          1HG       PRO  15 102.193   0.513   6.090
   56   2HG   PRO  15          2HG       PRO  15 101.455   1.602   7.277
   57   1HD   PRO  15          1HD       PRO  15 101.621   2.265   4.688
   58   2HD   PRO  15          2HD       PRO  15 101.825   3.482   5.967
   59    H    TYR  16           H        TYR  16 106.555   1.544   7.579
   60    HA   TYR  16           HA       TYR  16 107.933   0.461   5.289
   61   1HB   TYR  16          1HB       TYR  16 109.383   1.557   6.746
   62   2HB   TYR  16          2HB       TYR  16 108.607   0.887   8.180
   63    HD1  TYR  16           HD1      TYR  16 110.887   0.122   5.377
   64    HD2  TYR  16           HD2      TYR  16 109.297  -1.158   9.098
   65    HE1  TYR  16           HE1      TYR  16 112.599  -1.637   5.473
   66    HE2  TYR  16           HE2      TYR  16 111.006  -2.929   9.229
   67    HH   TYR  16           HH       TYR  16 113.394  -3.249   8.230
   68    H    GLU  17           H        GLU  17 107.005  -0.889   8.470
   69    HA   GLU  17           HA       GLU  17 107.561  -3.529   8.092
   70   1HB   GLU  17          1HB       GLU  17 105.247  -2.233   9.522
   71   2HB   GLU  17          2HB       GLU  17 105.500  -3.972   9.554
   72   1HG   GLU  17          1HG       GLU  17 107.567  -3.747  10.678
   73   2HG   GLU  17          2HG       GLU  17 107.602  -2.002  10.403
   74    H    MET  18           H        MET  18 104.521  -1.931   7.120
   75    HA   MET  18           HA       MET  18 103.392  -4.257   5.951
   76   1HB   MET  18          1HB       MET  18 102.768  -1.362   6.002
   77   2HB   MET  18          2HB       MET  18 102.121  -2.267   4.642
   78   1HG   MET  18          1HG       MET  18 101.380  -3.913   6.586
   79   2HG   MET  18          2HG       MET  18 101.447  -2.415   7.520
   80   1HE   MET  18          1HE       MET  18  97.766  -1.962   7.187
   81   2HE   MET  18          2HE       MET  18  99.233  -1.871   8.161
   82   3HE   MET  18          3HE       MET  18  98.590  -3.441   7.680
   83    H    LEU  19           H        LEU  19 105.620  -1.844   4.852
   84    HA   LEU  19           HA       LEU  19 105.391  -2.610   2.069
   85   1HB   LEU  19          1HB       LEU  19 106.922  -0.561   3.604
   86   2HB   LEU  19          2HB       LEU  19 107.425  -0.971   1.971
   87    HG   LEU  19           HG       LEU  19 104.720   0.100   2.779
   88   1HD1  LEU  19          1HD1      LEU  19 106.677   1.682   2.842
   89   2HD1  LEU  19          2HD1      LEU  19 105.365   2.131   1.752
   90   3HD1  LEU  19          3HD1      LEU  19 106.842   1.417   1.106
   91   1HD2  LEU  19          1HD2      LEU  19 105.811  -1.026   0.263
   92   2HD2  LEU  19          2HD2      LEU  19 104.717   0.355   0.156
   93   3HD2  LEU  19          3HD2      LEU  19 104.187  -1.134   0.941
   94    H    VAL  20           H        VAL  20 106.903  -3.969   4.688
   95    HA   VAL  20           HA       VAL  20 109.494  -4.510   3.732
   96    HB   VAL  20           HB       VAL  20 107.897  -6.381   5.484
   97   1HG1  VAL  20          1HG1      VAL  20 110.769  -5.975   4.866
   98   2HG1  VAL  20          2HG1      VAL  20 109.868  -7.473   5.106
   99   3HG1  VAL  20          3HG1      VAL  20 110.319  -6.478   6.495
  100   1HG2  VAL  20          1HG2      VAL  20 109.641  -4.253   6.609
  101   2HG2  VAL  20          2HG2      VAL  20 108.285  -5.108   7.342
  102   3HG2  VAL  20          3HG2      VAL  20 107.992  -3.856   6.141
  103    H    VAL  21           H        VAL  21 110.243  -6.789   3.062
  104    HA   VAL  21           HA       VAL  21 108.437  -7.642   0.919
  105    HB   VAL  21           HB       VAL  21 111.372  -8.229   1.261
  106   1HG1  VAL  21          1HG1      VAL  21 111.011  -8.517  -1.332
  107   2HG1  VAL  21          2HG1      VAL  21 109.358  -8.875  -0.831
  108   3HG1  VAL  21          3HG1      VAL  21 110.697  -9.843  -0.212
  109   1HG2  VAL  21          1HG2      VAL  21 110.068  -6.170  -0.509
  110   2HG2  VAL  21          2HG2      VAL  21 111.795  -6.461  -0.308
  111   3HG2  VAL  21          3HG2      VAL  21 110.851  -5.811   1.032
  112    H    THR  22           H        THR  22 110.895  -9.390   2.859
  113    HA   THR  22           HA       THR  22 109.112 -11.723   2.773
  114    HB   THR  22           HB       THR  22 112.094 -11.504   3.159
  115    HG1  THR  22           HG1      THR  22 112.173 -12.463   1.180
  116   1HG2  THR  22          1HG2      THR  22 111.443 -13.348   4.522
  117   2HG2  THR  22          2HG2      THR  22 112.105 -13.985   3.017
  118   3HG2  THR  22          3HG2      THR  22 110.360 -13.958   3.271
  119    H    ASN  23           H        ASN  23 111.340 -10.109   5.000
  120    HA   ASN  23           HA       ASN  23 111.073 -11.496   7.277
  121   1HB   ASN  23          1HB       ASN  23 111.074  -8.488   7.018
  122   2HB   ASN  23          2HB       ASN  23 111.403  -9.367   8.514
  123   1HD2  ASN  23          1HD2      ASN  23 112.541  -8.702   5.269
  124   2HD2  ASN  23          2HD2      ASN  23 114.179  -9.179   5.543
  125    H    LYS  24           H        LYS  24 108.530  -9.520   5.897
  126    HA   LYS  24           HA       LYS  24 106.872 -10.059   8.267
  127   1HB   LYS  24          1HB       LYS  24 107.073  -7.792   6.421
  128   2HB   LYS  24          2HB       LYS  24 105.417  -8.292   6.747
  129   1HG   LYS  24          1HG       LYS  24 106.364  -6.493   8.240
  130   2HG   LYS  24          2HG       LYS  24 105.636  -7.879   9.053
  131   1HD   LYS  24          1HD       LYS  24 107.709  -7.260  10.150
  132   2HD   LYS  24          2HD       LYS  24 107.881  -8.838   9.383
  133   1HE   LYS  24          1HE       LYS  24 109.720  -8.041   8.413
  134   2HE   LYS  24          2HE       LYS  24 108.659  -7.045   7.421
  135   1HZ   LYS  24          1HZ       LYS  24 110.060  -6.290   9.917
  136   2HZ   LYS  24          2HZ       LYS  24 108.786  -5.372   9.287
  137   3HZ   LYS  24          3HZ       LYS  24 110.200  -5.585   8.384
  138    H    GLY  25           H        GLY  25 107.445 -11.962   6.080
  139   1HA   GLY  25          1HA       GLY  25 105.820 -13.709   5.587
  140   2HA   GLY  25          2HA       GLY  25 104.647 -12.442   5.266
  141    H    ARG  26           H        ARG  26 104.434 -11.673   3.251
  142    HA   ARG  26           HA       ARG  26 106.476 -12.418   1.276
  143   1HB   ARG  26          1HB       ARG  26 103.601 -12.392   0.476
  144   2HB   ARG  26          2HB       ARG  26 104.941 -13.295  -0.199
  145   1HG   ARG  26          1HG       ARG  26 103.789 -14.979   0.814
  146   2HG   ARG  26          2HG       ARG  26 104.887 -14.520   2.117
  147   1HD   ARG  26          1HD       ARG  26 103.126 -13.114   3.092
  148   2HD   ARG  26          2HD       ARG  26 102.036 -13.587   1.795
  149    HE   ARG  26           HE       ARG  26 102.989 -15.900   3.063
  150   1HH1  ARG  26          1HH1      ARG  26 100.905 -13.173   3.691
  151   2HH1  ARG  26          2HH1      ARG  26  99.892 -14.042   4.794
  152   1HH2  ARG  26          1HH2      ARG  26 101.656 -17.046   4.512
  153   2HH2  ARG  26          2HH2      ARG  26 100.318 -16.241   5.261
  154    H    THR  27           H        THR  27 104.964 -11.181  -0.913
  155    HA   THR  27           HA       THR  27 105.907  -8.564  -0.577
  156    HB   THR  27           HB       THR  27 105.604  -9.701  -2.785
  157    HG1  THR  27           HG1      THR  27 105.091  -7.787  -3.838
  158   1HG2  THR  27          1HG2      THR  27 103.247 -10.461  -2.392
  159   2HG2  THR  27          2HG2      THR  27 103.560  -9.683  -3.943
  160   3HG2  THR  27          3HG2      THR  27 102.753  -8.787  -2.657
  161    H    LYS  28           H        LYS  28 102.476  -9.553  -0.887
  162    HA   LYS  28           HA       LYS  28 100.573  -8.471  -0.230
  163   1HB   LYS  28          1HB       LYS  28 102.388  -8.593   2.142
  164   2HB   LYS  28          2HB       LYS  28 100.751  -7.970   2.286
  165   1HG   LYS  28          1HG       LYS  28 100.720 -10.260   2.913
  166   2HG   LYS  28          2HG       LYS  28  99.913 -10.109   1.350
  167   1HD   LYS  28          1HD       LYS  28 102.638 -10.536   0.785
  168   2HD   LYS  28          2HD       LYS  28 102.216 -11.661   2.072
  169   1HE   LYS  28          1HE       LYS  28 101.770 -12.796   0.043
  170   2HE   LYS  28          2HE       LYS  28 100.205 -12.316   0.694
  171   1HZ   LYS  28          1HZ       LYS  28 100.013 -11.694  -1.485
  172   2HZ   LYS  28          2HZ       LYS  28 101.643 -11.277  -1.645
  173   3HZ   LYS  28          3HZ       LYS  28 100.587 -10.252  -0.815
  174    H    LEU  29           H        LEU  29 102.735  -6.670  -1.325
  175    HA   LEU  29           HA       LEU  29 102.878  -4.273   0.044
  176   1HB   LEU  29          1HB       LEU  29 103.239  -5.203  -2.716
  177   2HB   LEU  29          2HB       LEU  29 102.948  -3.491  -2.546
  178    HG   LEU  29           HG       LEU  29 105.257  -3.722  -2.606
  179   1HD1  LEU  29          1HD1      LEU  29 104.522  -3.607   0.314
  180   2HD1  LEU  29          2HD1      LEU  29 104.511  -2.251  -0.809
  181   3HD1  LEU  29          3HD1      LEU  29 106.028  -3.044  -0.396
  182   1HD2  LEU  29          1HD2      LEU  29 106.050  -5.769  -2.306
  183   2HD2  LEU  29          2HD2      LEU  29 104.719  -6.220  -1.243
  184   3HD2  LEU  29          3HD2      LEU  29 106.115  -5.365  -0.592
  185    HA   PRO  30           HA       PRO  30  98.872  -2.393  -0.222
  186   1HB   PRO  30          1HB       PRO  30 100.383   0.110  -0.748
  187   2HB   PRO  30          2HB       PRO  30  99.200  -0.243   0.519
  188   1HG   PRO  30          1HG       PRO  30 101.823  -0.062   1.056
  189   2HG   PRO  30          2HG       PRO  30 100.771  -1.214   1.903
  190   1HD   PRO  30          1HD       PRO  30 102.766  -1.704  -0.259
  191   2HD   PRO  30          2HD       PRO  30 102.309  -2.732   1.113
  192    HA   PRO  31           HA       PRO  31  97.963  -1.535  -4.470
  193   1HB   PRO  31          1HB       PRO  31  97.058   1.231  -4.110
  194   2HB   PRO  31          2HB       PRO  31  96.124  -0.208  -4.539
  195   1HG   PRO  31          1HG       PRO  31  95.892   0.996  -2.134
  196   2HG   PRO  31          2HG       PRO  31  95.712  -0.756  -2.341
  197   1HD   PRO  31          1HD       PRO  31  98.062   0.802  -1.328
  198   2HD   PRO  31          2HD       PRO  31  97.385  -0.730  -0.734
  199    H    GLY  32           H        GLY  32  99.791  -1.439  -5.701
  200   1HA   GLY  32          1HA       GLY  32 101.035  -0.243  -7.306
  201   2HA   GLY  32          2HA       GLY  32 100.731   1.232  -6.412
  202    H    VAL  33           H        VAL  33 102.174  -1.837  -5.275
  203    HA   VAL  33           HA       VAL  33 104.705  -0.402  -4.906
  204    HB   VAL  33           HB       VAL  33 104.319  -2.294  -2.790
  205   1HG1  VAL  33          1HG1      VAL  33 104.620   0.561  -2.219
  206   2HG1  VAL  33          2HG1      VAL  33 105.852  -0.164  -3.250
  207   3HG1  VAL  33          3HG1      VAL  33 105.550  -0.822  -1.646
  208   1HG2  VAL  33          1HG2      VAL  33 102.091  -0.483  -3.299
  209   2HG2  VAL  33          2HG2      VAL  33 102.771  -0.343  -1.682
  210   3HG2  VAL  33          3HG2      VAL  33 102.187  -1.902  -2.258
  211    H    ASP  34           H        ASP  34 106.409  -1.407  -5.623
  212    HA   ASP  34           HA       ASP  34 106.354  -4.333  -5.888
  213   1HB   ASP  34          1HB       ASP  34 105.980  -2.929  -8.071
  214   2HB   ASP  34          2HB       ASP  34 107.718  -2.645  -7.961
  215    H    ARG  35           H        ARG  35 108.361  -5.360  -5.669
  216    HA   ARG  35           HA       ARG  35 110.147  -4.183  -3.855
  217   1HB   ARG  35          1HB       ARG  35 111.501  -6.281  -5.271
  218   2HB   ARG  35          2HB       ARG  35 110.902  -6.268  -3.622
  219   1HG   ARG  35          1HG       ARG  35 109.188  -6.931  -6.004
  220   2HG   ARG  35          2HG       ARG  35 110.069  -8.133  -5.058
  221   1HD   ARG  35          1HD       ARG  35 108.828  -6.912  -3.054
  222   2HD   ARG  35          2HD       ARG  35 107.679  -6.520  -4.332
  223    HE   ARG  35           HE       ARG  35 108.016  -9.036  -3.076
  224   1HH1  ARG  35          1HH1      ARG  35 107.315  -7.575  -6.168
  225   2HH1  ARG  35          2HH1      ARG  35 106.439  -8.947  -6.759
  226   1HH2  ARG  35          1HH2      ARG  35 106.866 -10.843  -3.854
  227   2HH2  ARG  35          2HH2      ARG  35 106.184 -10.801  -5.445
  228    H    MET  36           H        MET  36 109.963  -3.920  -7.260
  229    HA   MET  36           HA       MET  36 112.600  -3.554  -8.018
  230   1HB   MET  36          1HB       MET  36 110.151  -3.304  -9.241
  231   2HB   MET  36          2HB       MET  36 110.752  -1.651  -9.262
  232   1HG   MET  36          1HG       MET  36 112.729  -2.321 -10.437
  233   2HG   MET  36          2HG       MET  36 112.292  -4.025 -10.284
  234   1HE   MET  36          1HE       MET  36 110.445  -5.213 -12.324
  235   2HE   MET  36          2HE       MET  36 109.009  -4.188 -12.299
  236   3HE   MET  36          3HE       MET  36 109.808  -4.626 -10.788
  237    H    ARG  37           H        ARG  37 110.363  -1.206  -6.584
  238    HA   ARG  37           HA       ARG  37 112.680   0.473  -5.930
  239   1HB   ARG  37          1HB       ARG  37 111.155   2.482  -6.388
  240   2HB   ARG  37          2HB       ARG  37 111.848   1.653  -7.774
  241   1HG   ARG  37          1HG       ARG  37 109.308   0.499  -7.063
  242   2HG   ARG  37          2HG       ARG  37 109.164   2.239  -7.317
  243   1HD   ARG  37          1HD       ARG  37 110.711   1.567  -9.422
  244   2HD   ARG  37          2HD       ARG  37 109.781   0.081  -9.230
  245    HE   ARG  37           HE       ARG  37 108.181   2.473  -9.224
  246   1HH1  ARG  37          1HH1      ARG  37 109.661   0.018 -11.214
  247   2HH1  ARG  37          2HH1      ARG  37 108.555   0.240 -12.529
  248   1HH2  ARG  37          1HH2      ARG  37 106.727   2.767 -10.951
  249   2HH2  ARG  37          2HH2      ARG  37 106.891   1.802 -12.379
  250    H    LEU  38           H        LEU  38 111.146  -1.390  -4.327
  251    HA   LEU  38           HA       LEU  38 109.184  -0.276  -2.757
  252   1HB   LEU  38          1HB       LEU  38 111.092  -2.475  -2.525
  253   2HB   LEU  38          2HB       LEU  38 110.600  -1.813  -0.971
  254    HG   LEU  38           HG       LEU  38 108.731  -2.846  -3.106
  255   1HD1  LEU  38          1HD1      LEU  38 110.186  -4.495  -1.782
  256   2HD1  LEU  38          2HD1      LEU  38 108.443  -4.767  -1.823
  257   3HD1  LEU  38          3HD1      LEU  38 109.190  -4.043  -0.398
  258   1HD2  LEU  38          1HD2      LEU  38 108.136  -0.927  -1.347
  259   2HD2  LEU  38          2HD2      LEU  38 107.842  -2.342  -0.338
  260   3HD2  LEU  38          3HD2      LEU  38 106.981  -2.153  -1.866
  261    H    GLU  39           H        GLU  39 112.688   0.088  -2.466
  262    HA   GLU  39           HA       GLU  39 112.633   1.455   0.006
  263   1HB   GLU  39          1HB       GLU  39 114.918   1.898  -0.309
  264   2HB   GLU  39          2HB       GLU  39 114.644   0.349  -1.082
  265   1HG   GLU  39          1HG       GLU  39 114.790   2.989  -2.512
  266   2HG   GLU  39          2HG       GLU  39 116.111   1.831  -2.376
  267    H    ARG  40           H        ARG  40 111.294   2.427  -2.839
  268    HA   ARG  40           HA       ARG  40 111.913   5.264  -2.362
  269   1HB   ARG  40          1HB       ARG  40 112.036   3.802  -4.704
  270   2HB   ARG  40          2HB       ARG  40 110.493   4.632  -4.832
  271   1HG   ARG  40          1HG       ARG  40 112.380   6.527  -3.927
  272   2HG   ARG  40          2HG       ARG  40 113.122   5.644  -5.263
  273   1HD   ARG  40          1HD       ARG  40 110.493   6.151  -6.074
  274   2HD   ARG  40          2HD       ARG  40 111.041   7.642  -5.308
  275    HE   ARG  40           HE       ARG  40 112.938   6.553  -7.165
  276   1HH1  ARG  40          1HH1      ARG  40 110.103   8.559  -6.836
  277   2HH1  ARG  40          2HH1      ARG  40 110.415   9.454  -8.286
  278   1HH2  ARG  40          1HH2      ARG  40 113.350   7.727  -9.072
  279   2HH2  ARG  40          2HH2      ARG  40 112.258   8.981  -9.556
  280    H    HIS  41           H        HIS  41 109.628   2.902  -1.912
  281    HA   HIS  41           HA       HIS  41 107.309   4.621  -2.183
  282   1HB   HIS  41          1HB       HIS  41 107.844   1.735  -1.854
  283   2HB   HIS  41          2HB       HIS  41 106.387   2.328  -1.074
  284    HD1  HIS  41           HD1      HIS  41 104.748   3.740  -2.780
  285    HD2  HIS  41           HD2      HIS  41 107.533   1.168  -4.478
  286    HE1  HIS  41           HE1      HIS  41 103.961   3.354  -5.136
  287    HE2  HIS  41           HE2      HIS  41 105.605   1.716  -6.110
  288    H    LEU  42           H        LEU  42 109.659   4.076   0.107
  289    HA   LEU  42           HA       LEU  42 108.003   4.247   2.453
  290   1HB   LEU  42          1HB       LEU  42 110.983   4.371   2.008
  291   2HB   LEU  42          2HB       LEU  42 110.223   4.421   3.593
  292    HG   LEU  42           HG       LEU  42 109.273   2.142   2.104
  293   1HD1  LEU  42          1HD1      LEU  42 111.097   1.423   1.078
  294   2HD1  LEU  42          2HD1      LEU  42 111.865   1.257   2.661
  295   3HD1  LEU  42          3HD1      LEU  42 112.059   2.749   1.732
  296   1HD2  LEU  42          1HD2      LEU  42 109.270   2.641   4.571
  297   2HD2  LEU  42          2HD2      LEU  42 110.980   2.213   4.559
  298   3HD2  LEU  42          3HD2      LEU  42 109.765   1.019   4.095
  299    H    SER  43           H        SER  43 107.900   6.011   3.854
  300    HA   SER  43           HA       SER  43 108.127   8.581   2.571
  301   1HB   SER  43          1HB       SER  43 107.421   9.233   5.080
  302   2HB   SER  43          2HB       SER  43 106.257   8.644   3.888
  303    HG   SER  43           HG       SER  43 106.033   7.470   5.789
  304    H    ALA  44           H        ALA  44 109.238  10.406   3.589
  305    HA   ALA  44           HA       ALA  44 111.931  10.053   3.884
  306   1HB   ALA  44          1HB       ALA  44 110.052  12.202   4.647
  307   2HB   ALA  44          2HB       ALA  44 111.490  12.259   3.630
  308   3HB   ALA  44          3HB       ALA  44 111.652  12.255   5.386
  309    H    GLU  45           H        GLU  45 109.474   9.652   6.316
  310    HA   GLU  45           HA       GLU  45 111.287   9.561   8.537
  311   1HB   GLU  45          1HB       GLU  45 109.131   8.226   9.474
  312   2HB   GLU  45          2HB       GLU  45 109.255   9.976   9.447
  313   1HG   GLU  45          1HG       GLU  45 107.925  10.126   7.486
  314   2HG   GLU  45          2HG       GLU  45 107.987   8.382   7.240
  315    H    ASP  46           H        ASP  46 109.363   7.097   6.865
  316    HA   ASP  46           HA       ASP  46 110.436   4.866   8.124
  317   1HB   ASP  46          1HB       ASP  46 109.412   5.044   5.285
  318   2HB   ASP  46          2HB       ASP  46 109.569   3.572   6.246
  319    H    PHE  47           H        PHE  47 111.451   6.396   5.057
  320    HA   PHE  47           HA       PHE  47 113.454   4.621   4.369
  321   1HB   PHE  47          1HB       PHE  47 112.509   6.679   3.104
  322   2HB   PHE  47          2HB       PHE  47 113.792   7.569   3.928
  323    HD1  PHE  47           HD1      PHE  47 113.220   4.555   1.852
  324    HD2  PHE  47           HD2      PHE  47 115.902   7.647   3.000
  325    HE1  PHE  47           HE1      PHE  47 114.837   3.801   0.137
  326    HE2  PHE  47           HE2      PHE  47 117.513   6.902   1.291
  327    HZ   PHE  47           HZ       PHE  47 116.967   4.982  -0.142
  328    H    SER  48           H        SER  48 114.084   7.805   5.844
  329    HA   SER  48           HA       SER  48 116.731   7.334   6.504
  330   1HB   SER  48          1HB       SER  48 114.731   9.114   7.920
  331   2HB   SER  48          2HB       SER  48 116.481   9.198   8.123
  332    HG   SER  48           HG       SER  48 116.555   9.569   5.797
  333    H    ARG  49           H        ARG  49 113.907   6.040   7.965
  334    HA   ARG  49           HA       ARG  49 115.161   5.503  10.516
  335   1HB   ARG  49          1HB       ARG  49 112.785   6.007  10.470
  336   2HB   ARG  49          2HB       ARG  49 112.492   4.667   9.371
  337   1HG   ARG  49          1HG       ARG  49 112.462   3.159  11.021
  338   2HG   ARG  49          2HG       ARG  49 113.827   3.901  11.858
  339   1HD   ARG  49          1HD       ARG  49 110.948   4.795  11.932
  340   2HD   ARG  49          2HD       ARG  49 111.860   4.047  13.246
  341    HE   ARG  49           HE       ARG  49 111.942   6.803  12.417
  342   1HH1  ARG  49          1HH1      ARG  49 113.653   4.253  14.077
  343   2HH1  ARG  49          2HH1      ARG  49 114.611   5.342  15.023
  344   1HH2  ARG  49          1HH2      ARG  49 113.202   8.236  13.660
  345   2HH2  ARG  49          2HH2      ARG  49 114.354   7.603  14.787
  346    H    VAL  50           H        VAL  50 114.578   3.854   7.496
  347    HA   VAL  50           HA       VAL  50 115.424   1.298   8.637
  348    HB   VAL  50           HB       VAL  50 114.579   1.845   5.791
  349   1HG1  VAL  50          1HG1      VAL  50 115.930  -0.262   6.552
  350   2HG1  VAL  50          2HG1      VAL  50 114.559  -0.425   5.455
  351   3HG1  VAL  50          3HG1      VAL  50 114.365  -0.790   7.168
  352   1HG2  VAL  50          1HG2      VAL  50 112.763   0.489   7.704
  353   2HG2  VAL  50          2HG2      VAL  50 112.391   1.472   6.289
  354   3HG2  VAL  50          3HG2      VAL  50 112.892   2.246   7.795
  355    H    PHE  51           H        PHE  51 116.361   3.566   6.068
  356    HA   PHE  51           HA       PHE  51 118.852   2.089   5.680
  357   1HB   PHE  51          1HB       PHE  51 117.713   4.406   4.113
  358   2HB   PHE  51          2HB       PHE  51 119.120   3.445   3.666
  359    HD1  PHE  51           HD1      PHE  51 118.553   0.785   3.672
  360    HD2  PHE  51           HD2      PHE  51 115.792   3.944   3.013
  361    HE1  PHE  51           HE1      PHE  51 117.086  -0.761   2.427
  362    HE2  PHE  51           HE2      PHE  51 114.320   2.410   1.766
  363    HZ   PHE  51           HZ       PHE  51 114.974   0.060   1.474
  364    H    ALA  52           H        ALA  52 117.691   5.241   6.726
  365    HA   ALA  52           HA       ALA  52 118.713   6.772   8.108
  366   1HB   ALA  52          1HB       ALA  52 121.355   5.399   7.774
  367   2HB   ALA  52          2HB       ALA  52 120.127   4.783   8.881
  368   3HB   ALA  52          3HB       ALA  52 120.787   6.402   9.108
  369    H    MET  53           H        MET  53 118.947   6.397   4.987
  370    HA   MET  53           HA       MET  53 120.742   8.708   4.590
  371   1HB   MET  53          1HB       MET  53 121.742   7.744   2.827
  372   2HB   MET  53          2HB       MET  53 121.198   6.244   3.572
  373   1HG   MET  53          1HG       MET  53 119.184   6.310   2.162
  374   2HG   MET  53          2HG       MET  53 119.810   7.757   1.374
  375   1HE   MET  53          1HE       MET  53 119.451   4.350   1.735
  376   2HE   MET  53          2HE       MET  53 121.106   3.755   1.888
  377   3HE   MET  53          3HE       MET  53 120.257   3.612   0.352
  378    H    SER  54           H        SER  54 120.211   9.680   2.337
  379    HA   SER  54           HA       SER  54 117.474  10.576   2.507
  380   1HB   SER  54          1HB       SER  54 119.877  11.337   0.855
  381   2HB   SER  54          2HB       SER  54 118.271  11.974   0.475
  382    HG   SER  54           HG       SER  54 119.857  12.395   2.763
  383    HA   PRO  55           HA       PRO  55 115.715   7.712  -0.413
  384   1HB   PRO  55          1HB       PRO  55 114.357  10.152  -1.470
  385   2HB   PRO  55          2HB       PRO  55 113.664   8.590  -1.015
  386   1HG   PRO  55          1HG       PRO  55 113.404  10.724   0.570
  387   2HG   PRO  55          2HG       PRO  55 113.651   9.100   1.243
  388   1HD   PRO  55          1HD       PRO  55 115.557  11.377   1.040
  389   2HD   PRO  55          2HD       PRO  55 115.453  10.092   2.263
  390    H    GLU  56           H        GLU  56 117.239  10.715  -1.278
  391    HA   GLU  56           HA       GLU  56 117.561   9.967  -4.062
  392   1HB   GLU  56          1HB       GLU  56 118.037  12.156  -4.454
  393   2HB   GLU  56          2HB       GLU  56 117.218  12.363  -2.910
  394   1HG   GLU  56          1HG       GLU  56 119.409  12.353  -1.778
  395   2HG   GLU  56          2HG       GLU  56 120.192  12.247  -3.359
  396    H    GLU  57           H        GLU  57 119.243   9.600  -1.100
  397    HA   GLU  57           HA       GLU  57 121.882   9.546  -2.168
  398   1HB   GLU  57          1HB       GLU  57 120.632   8.963   0.480
  399   2HB   GLU  57          2HB       GLU  57 122.115   8.089   0.110
  400   1HG   GLU  57          1HG       GLU  57 123.264  10.196  -0.313
  401   2HG   GLU  57          2HG       GLU  57 121.780  11.074   0.054
  402    H    PHE  58           H        PHE  58 119.400   7.138  -1.453
  403    HA   PHE  58           HA       PHE  58 120.752   4.756  -1.948
  404   1HB   PHE  58          1HB       PHE  58 118.193   5.418  -1.405
  405   2HB   PHE  58          2HB       PHE  58 118.026   5.074  -3.121
  406    HD1  PHE  58           HD1      PHE  58 118.741   2.788  -3.956
  407    HD2  PHE  58           HD2      PHE  58 118.247   3.703   0.167
  408    HE1  PHE  58           HE1      PHE  58 118.519   0.390  -3.451
  409    HE2  PHE  58           HE2      PHE  58 118.036   1.312   0.682
  410    HZ   PHE  58           HZ       PHE  58 118.168  -0.355  -1.127
  411    H    GLY  59           H        GLY  59 118.812   6.564  -4.354
  412   1HA   GLY  59          1HA       GLY  59 119.554   5.114  -6.598
  413   2HA   GLY  59          2HA       GLY  59 119.064   6.802  -6.625
  414    H    LYS  60           H        LYS  60 121.365   7.497  -4.839
  415    HA   LYS  60           HA       LYS  60 123.322   7.795  -6.970
  416   1HB   LYS  60          1HB       LYS  60 123.028   9.031  -4.236
  417   2HB   LYS  60          2HB       LYS  60 124.468   9.268  -5.224
  418   1HG   LYS  60          1HG       LYS  60 121.930   9.806  -6.597
  419   2HG   LYS  60          2HG       LYS  60 122.296  10.884  -5.246
  420   1HD   LYS  60          1HD       LYS  60 123.334  11.986  -6.979
  421   2HD   LYS  60          2HD       LYS  60 124.660  10.991  -6.375
  422   1HE   LYS  60          1HE       LYS  60 123.350   9.368  -8.212
  423   2HE   LYS  60          2HE       LYS  60 123.349  10.965  -8.958
  424   1HZ   LYS  60          1HZ       LYS  60 125.625   9.259  -8.224
  425   2HZ   LYS  60          2HZ       LYS  60 125.833  10.938  -8.244
  426   3HZ   LYS  60          3HZ       LYS  60 125.350  10.131  -9.649
  427    H    LEU  61           H        LEU  61 122.743   5.579  -4.543
  428    HA   LEU  61           HA       LEU  61 125.411   5.119  -3.683
  429   1HB   LEU  61          1HB       LEU  61 122.865   3.502  -3.450
  430   2HB   LEU  61          2HB       LEU  61 124.360   3.096  -2.646
  431    HG   LEU  61           HG       LEU  61 122.528   5.381  -2.087
  432   1HD1  LEU  61          1HD1      LEU  61 121.892   3.715  -0.711
  433   2HD1  LEU  61          2HD1      LEU  61 123.202   4.372   0.270
  434   3HD1  LEU  61          3HD1      LEU  61 123.476   2.943  -0.727
  435   1HD2  LEU  61          1HD2      LEU  61 124.343   6.051  -0.404
  436   2HD2  LEU  61          2HD2      LEU  61 124.569   6.524  -2.089
  437   3HD2  LEU  61          3HD2      LEU  61 125.445   5.139  -1.437
  438    H    ALA  62           H        ALA  62 125.102   2.190  -3.925
  439    HA   ALA  62           HA       ALA  62 125.647   1.848  -6.791
  440   1HB   ALA  62          1HB       ALA  62 127.168   0.407  -4.639
  441   2HB   ALA  62          2HB       ALA  62 127.714   1.928  -5.345
  442   3HB   ALA  62          3HB       ALA  62 127.536   0.497  -6.361
  443    H    LEU  63           H        LEU  63 125.653  -0.519  -7.430
  444    HA   LEU  63           HA       LEU  63 123.141  -1.651  -6.835
  445   1HB   LEU  63          1HB       LEU  63 124.550  -1.925  -8.928
  446   2HB   LEU  63          2HB       LEU  63 125.471  -3.122  -8.036
  447    HG   LEU  63           HG       LEU  63 122.685  -3.738  -7.809
  448   1HD1  LEU  63          1HD1      LEU  63 123.649  -3.565 -10.655
  449   2HD1  LEU  63          2HD1      LEU  63 122.519  -2.429  -9.917
  450   3HD1  LEU  63          3HD1      LEU  63 122.077  -4.128 -10.086
  451   1HD2  LEU  63          1HD2      LEU  63 123.417  -5.850  -8.215
  452   2HD2  LEU  63          2HD2      LEU  63 124.962  -5.104  -7.802
  453   3HD2  LEU  63          3HD2      LEU  63 124.521  -5.341  -9.494
  454    H    TRP  64           H        TRP  64 126.301  -2.136  -5.445
  455    HA   TRP  64           HA       TRP  64 125.519  -4.532  -4.036
  456   1HB   TRP  64          1HB       TRP  64 127.839  -4.247  -3.069
  457   2HB   TRP  64          2HB       TRP  64 127.783  -4.432  -4.828
  458    HD1  TRP  64           HD1      TRP  64 128.692  -2.429  -6.257
  459    HE1  TRP  64           HE1      TRP  64 129.748  -0.163  -5.666
  460    HE3  TRP  64           HE3      TRP  64 127.597  -2.389  -1.390
  461    HZ2  TRP  64           HZ2      TRP  64 130.078   1.435  -3.306
  462    HZ3  TRP  64           HZ3      TRP  64 128.316  -0.460   0.007
  463    HH2  TRP  64           HH2      TRP  64 129.514   1.405  -0.945
  464    H    LYS  65           H        LYS  65 125.954  -1.125  -3.585
  465    HA   LYS  65           HA       LYS  65 125.698  -1.095  -0.744
  466   1HB   LYS  65          1HB       LYS  65 126.406   0.784  -2.552
  467   2HB   LYS  65          2HB       LYS  65 124.722   1.236  -2.304
  468   1HG   LYS  65          1HG       LYS  65 126.970   1.213  -0.322
  469   2HG   LYS  65          2HG       LYS  65 125.911   2.546  -0.788
  470   1HD   LYS  65          1HD       LYS  65 124.014   1.330   0.264
  471   2HD   LYS  65          2HD       LYS  65 125.159   0.107   0.825
  472   1HE   LYS  65          1HE       LYS  65 125.750   2.949   1.456
  473   2HE   LYS  65          2HE       LYS  65 124.425   2.173   2.333
  474   1HZ   LYS  65          1HZ       LYS  65 127.289   1.681   2.478
  475   2HZ   LYS  65          2HZ       LYS  65 126.300   0.312   2.557
  476   3HZ   LYS  65          3HZ       LYS  65 126.104   1.560   3.682
  477    H    ARG  66           H        ARG  66 123.430  -0.283  -3.367
  478    HA   ARG  66           HA       ARG  66 121.111   0.047  -1.894
  479   1HB   ARG  66          1HB       ARG  66 121.483  -1.150  -4.644
  480   2HB   ARG  66          2HB       ARG  66 119.923  -0.698  -3.975
  481   1HG   ARG  66          1HG       ARG  66 120.899   1.628  -3.687
  482   2HG   ARG  66          2HG       ARG  66 122.214   1.072  -4.724
  483   1HD   ARG  66          1HD       ARG  66 119.665   0.379  -5.870
  484   2HD   ARG  66          2HD       ARG  66 119.735   2.111  -5.515
  485    HE   ARG  66           HE       ARG  66 122.071   1.132  -6.863
  486   1HH1  ARG  66          1HH1      ARG  66 118.817   2.312  -7.303
  487   2HH1  ARG  66          2HH1      ARG  66 119.097   2.848  -8.926
  488   1HH2  ARG  66          1HH2      ARG  66 122.441   1.836  -8.998
  489   2HH2  ARG  66          2HH2      ARG  66 121.153   2.577  -9.889
  490    H    ASN  67           H        ASN  67 122.515  -2.878  -3.257
  491    HA   ASN  67           HA       ASN  67 120.548  -4.716  -2.556
  492   1HB   ASN  67          1HB       ASN  67 123.415  -4.832  -3.210
  493   2HB   ASN  67          2HB       ASN  67 122.852  -6.168  -2.205
  494   1HD2  ASN  67          1HD2      ASN  67 121.741  -4.319  -5.030
  495   2HD2  ASN  67          2HD2      ASN  67 121.233  -5.695  -5.941
  496    H    GLU  68           H        GLU  68 123.558  -4.180  -0.728
  497    HA   GLU  68           HA       GLU  68 123.015  -5.568   1.540
  498   1HB   GLU  68          1HB       GLU  68 124.673  -3.208   0.911
  499   2HB   GLU  68          2HB       GLU  68 124.311  -3.446   2.614
  500   1HG   GLU  68          1HG       GLU  68 126.418  -4.485   2.013
  501   2HG   GLU  68          2HG       GLU  68 125.236  -5.696   2.509
  502    H    LEU  69           H        LEU  69 122.005  -2.221   0.849
  503    HA   LEU  69           HA       LEU  69 120.783  -1.739   3.337
  504   1HB   LEU  69          1HB       LEU  69 119.833  -0.603   0.721
  505   2HB   LEU  69          2HB       LEU  69 119.688   0.100   2.320
  506    HG   LEU  69           HG       LEU  69 122.402  -0.413   1.316
  507   1HD1  LEU  69          1HD1      LEU  69 121.609   2.193   0.511
  508   2HD1  LEU  69          2HD1      LEU  69 120.536   1.008  -0.228
  509   3HD1  LEU  69          3HD1      LEU  69 122.276   0.888  -0.466
  510   1HD2  LEU  69          1HD2      LEU  69 122.614   0.579   3.333
  511   2HD2  LEU  69          2HD2      LEU  69 121.031   1.349   3.234
  512   3HD2  LEU  69          3HD2      LEU  69 122.407   2.050   2.384
  513    H    LYS  70           H        LYS  70 119.245  -2.477   0.234
  514    HA   LYS  70           HA       LYS  70 116.683  -3.057   1.164
  515   1HB   LYS  70          1HB       LYS  70 118.307  -3.901  -1.190
  516   2HB   LYS  70          2HB       LYS  70 116.836  -4.788  -0.860
  517   1HG   LYS  70          1HG       LYS  70 117.205  -1.999  -1.795
  518   2HG   LYS  70          2HG       LYS  70 116.099  -3.254  -2.355
  519   1HD   LYS  70          1HD       LYS  70 115.197  -2.807   0.184
  520   2HD   LYS  70          2HD       LYS  70 115.737  -1.200  -0.295
  521   1HE   LYS  70          1HE       LYS  70 113.315  -1.812  -0.808
  522   2HE   LYS  70          2HE       LYS  70 114.269  -1.128  -2.122
  523   1HZ   LYS  70          1HZ       LYS  70 114.147  -3.010  -3.301
  524   2HZ   LYS  70          2HZ       LYS  70 112.819  -3.368  -2.317
  525   3HZ   LYS  70          3HZ       LYS  70 114.338  -4.013  -1.952
  526    H    LYS  71           H        LYS  71 119.623  -4.830   1.339
  527    HA   LYS  71           HA       LYS  71 118.454  -7.371   1.969
  528   1HB   LYS  71          1HB       LYS  71 121.252  -6.264   1.822
  529   2HB   LYS  71          2HB       LYS  71 120.943  -7.880   2.468
  530   1HG   LYS  71          1HG       LYS  71 119.743  -7.181  -0.149
  531   2HG   LYS  71          2HG       LYS  71 121.489  -7.437  -0.085
  532   1HD   LYS  71          1HD       LYS  71 119.482  -9.401   1.011
  533   2HD   LYS  71          2HD       LYS  71 120.119  -9.478  -0.634
  534   1HE   LYS  71          1HE       LYS  71 121.734  -9.618   1.911
  535   2HE   LYS  71          2HE       LYS  71 121.343 -10.973   0.853
  536   1HZ   LYS  71          1HZ       LYS  71 123.528 -10.274   0.332
  537   2HZ   LYS  71          2HZ       LYS  71 123.074  -8.648   0.234
  538   3HZ   LYS  71          3HZ       LYS  71 122.544  -9.745  -0.939
  539    H    LYS  72           H        LYS  72 119.782  -4.668   3.760
  540    HA   LYS  72           HA       LYS  72 119.558  -6.142   6.261
  541   1HB   LYS  72          1HB       LYS  72 120.822  -4.400   7.287
  542   2HB   LYS  72          2HB       LYS  72 121.610  -4.771   5.761
  543   1HG   LYS  72          1HG       LYS  72 121.616  -2.554   5.477
  544   2HG   LYS  72          2HG       LYS  72 119.926  -2.777   5.012
  545   1HD   LYS  72          1HD       LYS  72 119.460  -2.541   7.554
  546   2HD   LYS  72          2HD       LYS  72 121.066  -1.810   7.607
  547   1HE   LYS  72          1HE       LYS  72 118.621  -0.867   6.143
  548   2HE   LYS  72          2HE       LYS  72 119.584  -0.008   7.343
  549   1HZ   LYS  72          1HZ       LYS  72 120.015  -0.305   4.492
  550   2HZ   LYS  72          2HZ       LYS  72 121.405  -0.451   5.445
  551   3HZ   LYS  72          3HZ       LYS  72 120.465   0.952   5.531
  552    H    ALA  73           H        ALA  73 117.925  -3.908   4.317
  553    HA   ALA  73           HA       ALA  73 116.343  -2.715   6.417
  554   1HB   ALA  73          1HB       ALA  73 116.672  -2.371   3.498
  555   2HB   ALA  73          2HB       ALA  73 116.581  -1.161   4.777
  556   3HB   ALA  73          3HB       ALA  73 115.109  -1.930   4.184
  557    H    GLU  74           H        GLU  74 116.340  -5.706   5.175
  558    HA   GLU  74           HA       GLU  74 114.826  -7.402   5.166
  559   1HB   GLU  74          1HB       GLU  74 113.040  -5.324   6.437
  560   2HB   GLU  74          2HB       GLU  74 112.604  -7.013   6.257
  561   1HG   GLU  74          1HG       GLU  74 114.412  -7.685   7.694
  562   2HG   GLU  74          2HG       GLU  74 114.999  -6.025   7.784
  563    H    LEU  75           H        LEU  75 114.982  -5.212   3.015
  564    HA   LEU  75           HA       LEU  75 112.676  -6.187   1.551
  565   1HB   LEU  75          1HB       LEU  75 112.826  -3.567   0.664
  566   2HB   LEU  75          2HB       LEU  75 111.578  -4.266   1.688
  567    HG   LEU  75           HG       LEU  75 113.684  -3.542   3.383
  568   1HD1  LEU  75          1HD1      LEU  75 113.270  -1.590   1.167
  569   2HD1  LEU  75          2HD1      LEU  75 114.762  -2.060   1.986
  570   3HD1  LEU  75          3HD1      LEU  75 113.601  -1.008   2.802
  571   1HD2  LEU  75          1HD2      LEU  75 111.802  -1.583   3.668
  572   2HD2  LEU  75          2HD2      LEU  75 111.732  -3.180   4.412
  573   3HD2  LEU  75          3HD2      LEU  75 110.886  -2.876   2.895
  574    H    PHE  76           H        PHE  76 114.766  -7.401   0.909
  575    HA   PHE  76           HA       PHE  76 115.832  -6.093  -1.501
  576   1HB   PHE  76          1HB       PHE  76 117.824  -6.439  -0.463
  577   2HB   PHE  76          2HB       PHE  76 117.164  -7.677   0.608
  578    HD1  PHE  76           HD1      PHE  76 116.973 -10.017  -0.198
  579    HD2  PHE  76           HD2      PHE  76 118.962  -7.006  -2.455
  580    HE1  PHE  76           HE1      PHE  76 118.081 -11.758  -1.538
  581    HE2  PHE  76           HE2      PHE  76 120.072  -8.741  -3.798
  582    HZ   PHE  76           HZ       PHE  76 119.632 -11.121  -3.342
  Start of MODEL   11
    1    HT1  PRO   9           HT1      PRO   9 104.672  12.627 -11.794
    2    HT2  PRO   9           HT2      PRO   9 105.087  11.442 -10.730
    3    HA   PRO   9           HA       PRO   9 104.062  13.767 -10.210
    4   1HB   PRO   9          1HB       PRO   9 101.871  12.163  -9.187
    5   2HB   PRO   9          2HB       PRO   9 101.815  13.666 -10.116
    6   1HG   PRO   9          1HG       PRO   9 101.068  11.258 -11.139
    7   2HG   PRO   9          2HG       PRO   9 101.724  12.576 -12.126
    8   1HD   PRO   9          1HD       PRO   9 103.113  10.138 -11.054
    9   2HD   PRO   9          2HD       PRO   9 103.218  10.869 -12.668
   10    H    GLY  10           H        GLY  10 103.323  10.533  -8.884
   11   1HA   GLY  10          1HA       GLY  10 105.412  10.337  -7.079
   12   2HA   GLY  10          2HA       GLY  10 104.147  11.232  -6.251
   13    H    LEU  11           H        LEU  11 104.946   8.899  -5.201
   14    HA   LEU  11           HA       LEU  11 102.770   7.044  -5.894
   15   1HB   LEU  11          1HB       LEU  11 104.524   5.498  -4.512
   16   2HB   LEU  11          2HB       LEU  11 104.417   5.580  -6.260
   17    HG   LEU  11           HG       LEU  11 106.164   7.548  -5.920
   18   1HD1  LEU  11          1HD1      LEU  11 106.485   7.737  -3.667
   19   2HD1  LEU  11          2HD1      LEU  11 107.739   6.557  -4.056
   20   3HD1  LEU  11          3HD1      LEU  11 106.204   6.021  -3.372
   21   1HD2  LEU  11          1HD2      LEU  11 106.265   5.080  -6.932
   22   2HD2  LEU  11          2HD2      LEU  11 107.368   4.873  -5.572
   23   3HD2  LEU  11          3HD2      LEU  11 107.685   6.115  -6.785
   24    H    GLN  12           H        GLN  12 102.041   5.680  -4.060
   25    HA   GLN  12           HA       GLN  12 101.426   7.360  -1.812
   26   1HB   GLN  12          1HB       GLN  12 100.394   5.008  -1.040
   27   2HB   GLN  12          2HB       GLN  12  99.581   6.083  -2.166
   28   1HG   GLN  12          1HG       GLN  12 101.432   4.032  -3.261
   29   2HG   GLN  12          2HG       GLN  12  99.862   3.514  -2.653
   30   1HE2  GLN  12          1HE2      GLN  12  98.093   5.238  -3.395
   31   2HE2  GLN  12          2HE2      GLN  12  98.077   5.503  -5.103
   32    H    ILE  13           H        ILE  13 102.294   7.364   0.170
   33    HA   ILE  13           HA       ILE  13 104.594   5.623   0.639
   34    HB   ILE  13           HB       ILE  13 103.808   7.823   2.503
   35   1HG1  ILE  13          1HG1      ILE  13 103.725   8.730   0.166
   36   2HG1  ILE  13          2HG1      ILE  13 104.970   9.459   1.176
   37   1HG2  ILE  13          1HG2      ILE  13 106.407   7.978   2.451
   38   2HG2  ILE  13          2HG2      ILE  13 106.301   6.366   1.742
   39   3HG2  ILE  13          3HG2      ILE  13 105.624   6.672   3.343
   40   1HD1  ILE  13          1HD1      ILE  13 105.772   9.021  -1.080
   41   2HD1  ILE  13          2HD1      ILE  13 105.425   7.304  -0.870
   42   3HD1  ILE  13          3HD1      ILE  13 106.661   8.082   0.120
   43    H    TYR  14           H        TYR  14 104.519   3.953   2.004
   44    HA   TYR  14           HA       TYR  14 102.381   3.877   4.032
   45   1HB   TYR  14          1HB       TYR  14 103.364   1.549   2.364
   46   2HB   TYR  14          2HB       TYR  14 102.146   1.462   3.634
   47    HD1  TYR  14           HD1      TYR  14  99.987   2.780   3.301
   48    HD2  TYR  14           HD2      TYR  14 102.762   2.041   0.161
   49    HE1  TYR  14           HE1      TYR  14  98.227   3.240   1.646
   50    HE2  TYR  14           HE2      TYR  14 101.013   2.497  -1.501
   51    HH   TYR  14           HH       TYR  14  98.424   2.392  -1.532
   52    HA   PRO  15           HA       PRO  15 105.232   2.882   7.251
   53   1HB   PRO  15          1HB       PRO  15 104.314   0.277   7.907
   54   2HB   PRO  15          2HB       PRO  15 103.857   1.796   8.687
   55   1HG   PRO  15          1HG       PRO  15 102.437   0.238   6.593
   56   2HG   PRO  15          2HG       PRO  15 101.777   1.264   7.880
   57   1HD   PRO  15          1HD       PRO  15 101.799   2.075   5.330
   58   2HD   PRO  15          2HD       PRO  15 102.103   3.215   6.660
   59    H    TYR  16           H        TYR  16 106.919   1.232   7.882
   60    HA   TYR  16           HA       TYR  16 108.136   0.217   5.472
   61   1HB   TYR  16          1HB       TYR  16 109.705   1.271   6.817
   62   2HB   TYR  16          2HB       TYR  16 109.024   0.611   8.305
   63    HD1  TYR  16           HD1      TYR  16 111.173  -0.101   5.408
   64    HD2  TYR  16           HD2      TYR  16 109.678  -1.527   9.118
   65    HE1  TYR  16           HE1      TYR  16 112.871  -1.879   5.383
   66    HE2  TYR  16           HE2      TYR  16 111.374  -3.315   9.123
   67    HH   TYR  16           HH       TYR  16 114.025  -3.333   7.522
   68    H    GLU  17           H        GLU  17 107.575  -1.249   8.689
   69    HA   GLU  17           HA       GLU  17 108.109  -3.858   8.180
   70   1HB   GLU  17          1HB       GLU  17 106.349  -2.438  10.036
   71   2HB   GLU  17          2HB       GLU  17 105.815  -4.079   9.703
   72   1HG   GLU  17          1HG       GLU  17 107.649  -5.027  10.677
   73   2HG   GLU  17          2HG       GLU  17 108.678  -3.628  10.359
   74    H    MET  18           H        MET  18 104.981  -2.283   7.517
   75    HA   MET  18           HA       MET  18 103.766  -4.596   6.411
   76   1HB   MET  18          1HB       MET  18 103.152  -1.660   6.350
   77   2HB   MET  18          2HB       MET  18 102.247  -2.767   5.327
   78   1HG   MET  18          1HG       MET  18 101.105  -2.291   7.437
   79   2HG   MET  18          2HG       MET  18 101.493  -4.003   7.251
   80   1HE   MET  18          1HE       MET  18 100.581  -3.712   9.611
   81   2HE   MET  18          2HE       MET  18 101.050  -2.240  10.463
   82   3HE   MET  18          3HE       MET  18 101.707  -3.798  10.967
   83    H    LEU  19           H        LEU  19 105.743  -2.029   5.125
   84    HA   LEU  19           HA       LEU  19 105.306  -2.746   2.369
   85   1HB   LEU  19          1HB       LEU  19 106.926  -0.732   3.845
   86   2HB   LEU  19          2HB       LEU  19 107.358  -1.102   2.183
   87    HG   LEU  19           HG       LEU  19 104.684  -0.072   3.134
   88   1HD1  LEU  19          1HD1      LEU  19 106.705   1.307   1.388
   89   2HD1  LEU  19          2HD1      LEU  19 106.653   1.515   3.139
   90   3HD1  LEU  19          3HD1      LEU  19 105.271   1.992   2.151
   91   1HD2  LEU  19          1HD2      LEU  19 105.682  -1.115   0.542
   92   2HD2  LEU  19          2HD2      LEU  19 104.551   0.239   0.527
   93   3HD2  LEU  19          3HD2      LEU  19 104.096  -1.284   1.292
   94    H    VAL  20           H        VAL  20 107.190  -4.051   4.827
   95    HA   VAL  20           HA       VAL  20 109.641  -4.568   3.626
   96    HB   VAL  20           HB       VAL  20 108.162  -6.513   5.407
   97   1HG1  VAL  20          1HG1      VAL  20 110.064  -7.619   4.689
   98   2HG1  VAL  20          2HG1      VAL  20 110.603  -6.840   6.180
   99   3HG1  VAL  20          3HG1      VAL  20 111.015  -6.134   4.619
  100   1HG2  VAL  20          1HG2      VAL  20 108.915  -5.362   7.287
  101   2HG2  VAL  20          2HG2      VAL  20 108.342  -4.088   6.215
  102   3HG2  VAL  20          3HG2      VAL  20 110.066  -4.407   6.356
  103    H    VAL  21           H        VAL  21 110.429  -6.258   2.327
  104    HA   VAL  21           HA       VAL  21 108.605  -7.127   0.328
  105    HB   VAL  21           HB       VAL  21 111.490  -7.873   0.797
  106   1HG1  VAL  21          1HG1      VAL  21 111.126  -8.225  -1.848
  107   2HG1  VAL  21          2HG1      VAL  21 109.545  -8.726  -1.246
  108   3HG1  VAL  21          3HG1      VAL  21 111.006  -9.523  -0.660
  109   1HG2  VAL  21          1HG2      VAL  21 110.923  -5.451   0.384
  110   2HG2  VAL  21          2HG2      VAL  21 110.368  -5.940  -1.217
  111   3HG2  VAL  21          3HG2      VAL  21 112.053  -6.180  -0.756
  112    H    THR  22           H        THR  22 110.804  -9.186   2.258
  113    HA   THR  22           HA       THR  22 108.812 -11.333   2.025
  114    HB   THR  22           HB       THR  22 111.774 -11.491   2.607
  115    HG1  THR  22           HG1      THR  22 111.851 -11.341   0.525
  116   1HG2  THR  22          1HG2      THR  22 110.990 -13.414   3.604
  117   2HG2  THR  22          2HG2      THR  22 111.327 -13.946   1.956
  118   3HG2  THR  22          3HG2      THR  22 109.670 -13.600   2.449
  119    H    ASN  23           H        ASN  23 111.392 -10.622   4.311
  120    HA   ASN  23           HA       ASN  23 110.868 -11.832   6.532
  121   1HB   ASN  23          1HB       ASN  23 111.284  -8.843   6.459
  122   2HB   ASN  23          2HB       ASN  23 111.601  -9.890   7.843
  123   1HD2  ASN  23          1HD2      ASN  23 112.591  -9.044   4.596
  124   2HD2  ASN  23          2HD2      ASN  23 114.174  -9.729   4.696
  125    H    LYS  24           H        LYS  24 109.064  -8.778   5.962
  126    HA   LYS  24           HA       LYS  24 107.021  -9.830   7.807
  127   1HB   LYS  24          1HB       LYS  24 108.207  -7.128   7.481
  128   2HB   LYS  24          2HB       LYS  24 106.501  -7.217   7.907
  129   1HG   LYS  24          1HG       LYS  24 107.712  -7.033   9.929
  130   2HG   LYS  24          2HG       LYS  24 107.161  -8.705   9.817
  131   1HD   LYS  24          1HD       LYS  24 109.489  -8.555  10.583
  132   2HD   LYS  24          2HD       LYS  24 109.357  -9.401   9.041
  133   1HE   LYS  24          1HE       LYS  24 110.653  -7.903   8.016
  134   2HE   LYS  24          2HE       LYS  24 109.717  -6.555   8.662
  135   1HZ   LYS  24          1HZ       LYS  24 112.241  -7.580   9.514
  136   2HZ   LYS  24          2HZ       LYS  24 111.147  -7.479  10.800
  137   3HZ   LYS  24          3HZ       LYS  24 111.501  -6.104   9.881
  138    H    GLY  25           H        GLY  25 107.134 -10.165   4.831
  139   1HA   GLY  25          1HA       GLY  25 104.439  -9.930   4.270
  140   2HA   GLY  25          2HA       GLY  25 105.156  -8.424   3.724
  141    H    ARG  26           H        ARG  26 104.262  -9.174   1.672
  142    HA   ARG  26           HA       ARG  26 106.255 -10.729   0.187
  143   1HB   ARG  26          1HB       ARG  26 104.073 -12.011   0.911
  144   2HB   ARG  26          2HB       ARG  26 103.339 -11.105  -0.404
  145   1HG   ARG  26          1HG       ARG  26 105.638 -12.153  -1.529
  146   2HG   ARG  26          2HG       ARG  26 105.044 -13.445  -0.481
  147   1HD   ARG  26          1HD       ARG  26 102.743 -12.587  -1.660
  148   2HD   ARG  26          2HD       ARG  26 103.915 -12.347  -2.955
  149    HE   ARG  26           HE       ARG  26 104.108 -14.623  -3.164
  150   1HH1  ARG  26          1HH1      ARG  26 102.455 -13.886  -0.181
  151   2HH1  ARG  26          2HH1      ARG  26 102.035 -15.534   0.139
  152   1HH2  ARG  26          1HH2      ARG  26 103.557 -16.793  -2.744
  153   2HH2  ARG  26          2HH2      ARG  26 102.661 -17.185  -1.315
  154    H    THR  27           H        THR  27 104.369 -10.546  -2.190
  155    HA   THR  27           HA       THR  27 105.076  -7.837  -2.953
  156    HB   THR  27           HB       THR  27 104.416 -10.362  -4.341
  157    HG1  THR  27           HG1      THR  27 106.045  -9.582  -5.713
  158   1HG2  THR  27          1HG2      THR  27 102.642  -9.064  -5.298
  159   2HG2  THR  27          2HG2      THR  27 103.936  -9.253  -6.481
  160   3HG2  THR  27          3HG2      THR  27 103.743  -7.725  -5.618
  161    H    LYS  28           H        LYS  28 102.719  -8.992  -1.211
  162    HA   LYS  28           HA       LYS  28 100.447  -7.752  -2.514
  163   1HB   LYS  28          1HB       LYS  28 100.836  -9.436  -0.079
  164   2HB   LYS  28          2HB       LYS  28  99.277  -8.723  -0.475
  165   1HG   LYS  28          1HG       LYS  28  99.620 -11.131  -1.172
  166   2HG   LYS  28          2HG       LYS  28  99.051 -10.027  -2.422
  167   1HD   LYS  28          1HD       LYS  28 101.285  -9.859  -3.344
  168   2HD   LYS  28          2HD       LYS  28 101.932 -10.846  -2.034
  169   1HE   LYS  28          1HE       LYS  28 101.513 -12.681  -3.214
  170   2HE   LYS  28          2HE       LYS  28  99.796 -12.283  -3.227
  171   1HZ   LYS  28          1HZ       LYS  28 100.643 -10.672  -5.136
  172   2HZ   LYS  28          2HZ       LYS  28 100.169 -12.267  -5.441
  173   3HZ   LYS  28          3HZ       LYS  28 101.810 -11.887  -5.294
  174    H    LEU  29           H        LEU  29 102.462  -6.004  -1.671
  175    HA   LEU  29           HA       LEU  29 102.087  -4.852   0.862
  176   1HB   LEU  29          1HB       LEU  29 102.607  -2.860  -1.194
  177   2HB   LEU  29          2HB       LEU  29 103.508  -3.210   0.255
  178    HG   LEU  29           HG       LEU  29 103.929  -4.157  -2.544
  179   1HD1  LEU  29          1HD1      LEU  29 106.320  -3.980  -1.193
  180   2HD1  LEU  29          2HD1      LEU  29 105.343  -2.698  -0.482
  181   3HD1  LEU  29          3HD1      LEU  29 105.599  -2.750  -2.226
  182   1HD2  LEU  29          1HD2      LEU  29 103.984  -5.921  -0.263
  183   2HD2  LEU  29          2HD2      LEU  29 105.606  -5.703  -0.911
  184   3HD2  LEU  29          3HD2      LEU  29 104.313  -6.278  -1.958
  185    HA   PRO  30           HA       PRO  30  98.372  -2.441   0.886
  186   1HB   PRO  30          1HB       PRO  30 100.017   0.040   0.551
  187   2HB   PRO  30          2HB       PRO  30  98.722  -0.301   1.710
  188   1HG   PRO  30          1HG       PRO  30 101.271  -0.367   2.472
  189   2HG   PRO  30          2HG       PRO  30 100.102  -1.550   3.092
  190   1HD   PRO  30          1HD       PRO  30 102.273  -1.897   1.086
  191   2HD   PRO  30          2HD       PRO  30 101.604  -3.065   2.245
  192    HA   PRO  31           HA       PRO  31  97.216  -1.421  -3.245
  193   1HB   PRO  31          1HB       PRO  31  96.030   1.058  -3.157
  194   2HB   PRO  31          2HB       PRO  31  95.242  -0.450  -2.673
  195   1HG   PRO  31          1HG       PRO  31  96.552   1.636  -0.977
  196   2HG   PRO  31          2HG       PRO  31  95.053   0.735  -0.689
  197   1HD   PRO  31          1HD       PRO  31  97.355   0.095   0.541
  198   2HD   PRO  31          2HD       PRO  31  96.178  -1.142   0.061
  199    H    GLY  32           H        GLY  32  98.970  -1.187  -4.544
  200   1HA   GLY  32          1HA       GLY  32  99.979   0.232  -6.169
  201   2HA   GLY  32          2HA       GLY  32  99.845   1.568  -5.046
  202    H    VAL  33           H        VAL  33 101.327  -1.659  -4.528
  203    HA   VAL  33           HA       VAL  33 103.939  -0.371  -4.446
  204    HB   VAL  33           HB       VAL  33 103.716  -2.270  -2.323
  205   1HG1  VAL  33          1HG1      VAL  33 105.464  -0.436  -3.002
  206   2HG1  VAL  33          2HG1      VAL  33 105.232  -0.925  -1.326
  207   3HG1  VAL  33          3HG1      VAL  33 104.475   0.550  -1.926
  208   1HG2  VAL  33          1HG2      VAL  33 102.439  -1.011  -0.771
  209   2HG2  VAL  33          2HG2      VAL  33 101.449  -1.260  -2.207
  210   3HG2  VAL  33          3HG2      VAL  33 102.223   0.300  -1.934
  211    H    ASP  34           H        ASP  34 105.624  -1.500  -5.026
  212    HA   ASP  34           HA       ASP  34 105.412  -4.378  -5.421
  213   1HB   ASP  34          1HB       ASP  34 104.877  -2.798  -7.554
  214   2HB   ASP  34          2HB       ASP  34 106.633  -2.905  -7.688
  215    H    ARG  35           H        ARG  35 107.346  -5.409  -5.124
  216    HA   ARG  35           HA       ARG  35 109.343  -4.207  -3.655
  217   1HB   ARG  35          1HB       ARG  35 109.480  -6.665  -5.395
  218   2HB   ARG  35          2HB       ARG  35 110.730  -6.202  -4.247
  219   1HG   ARG  35          1HG       ARG  35 109.622  -7.145  -2.587
  220   2HG   ARG  35          2HG       ARG  35 108.184  -6.185  -2.944
  221   1HD   ARG  35          1HD       ARG  35 107.463  -8.392  -3.153
  222   2HD   ARG  35          2HD       ARG  35 107.752  -7.869  -4.811
  223    HE   ARG  35           HE       ARG  35 110.092  -8.998  -4.195
  224   1HH1  ARG  35          1HH1      ARG  35 106.820 -10.131  -3.736
  225   2HH1  ARG  35          2HH1      ARG  35 107.250 -11.803  -3.867
  226   1HH2  ARG  35          1HH2      ARG  35 110.655 -11.196  -4.367
  227   2HH2  ARG  35          2HH2      ARG  35 109.425 -12.408  -4.225
  228    H    MET  36           H        MET  36 108.872  -4.062  -7.060
  229    HA   MET  36           HA       MET  36 111.375  -3.805  -8.125
  230   1HB   MET  36          1HB       MET  36 108.714  -2.986  -8.843
  231   2HB   MET  36          2HB       MET  36 109.861  -1.735  -9.301
  232   1HG   MET  36          1HG       MET  36 110.690  -4.460  -9.988
  233   2HG   MET  36          2HG       MET  36 109.229  -3.900 -10.806
  234   1HE   MET  36          1HE       MET  36 112.619  -4.471 -11.852
  235   2HE   MET  36          2HE       MET  36 112.940  -3.693 -10.302
  236   3HE   MET  36          3HE       MET  36 113.482  -2.934 -11.799
  237    H    ARG  37           H        ARG  37 109.565  -1.318  -6.355
  238    HA   ARG  37           HA       ARG  37 112.087   0.109  -5.939
  239   1HB   ARG  37          1HB       ARG  37 110.628   2.272  -6.227
  240   2HB   ARG  37          2HB       ARG  37 111.359   1.495  -7.621
  241   1HG   ARG  37          1HG       ARG  37 108.767   0.368  -7.118
  242   2HG   ARG  37          2HG       ARG  37 108.660   2.125  -7.221
  243   1HD   ARG  37          1HD       ARG  37 109.345   2.177  -9.405
  244   2HD   ARG  37          2HD       ARG  37 110.282   0.690  -9.260
  245    HE   ARG  37           HE       ARG  37 107.745  -0.179  -8.992
  246   1HH1  ARG  37          1HH1      ARG  37 109.302   1.857 -11.362
  247   2HH1  ARG  37          2HH1      ARG  37 108.253   1.372 -12.651
  248   1HH2  ARG  37          1HH2      ARG  37 106.366  -0.819 -10.688
  249   2HH2  ARG  37          2HH2      ARG  37 106.587  -0.148 -12.269
  250    H    LEU  38           H        LEU  38 110.537  -1.568  -4.186
  251    HA   LEU  38           HA       LEU  38 108.820  -0.328  -2.469
  252   1HB   LEU  38          1HB       LEU  38 110.522  -2.646  -2.457
  253   2HB   LEU  38          2HB       LEU  38 110.472  -1.914  -0.858
  254    HG   LEU  38           HG       LEU  38 108.057  -2.738  -2.476
  255   1HD1  LEU  38          1HD1      LEU  38 109.711  -4.078  -0.406
  256   2HD1  LEU  38          2HD1      LEU  38 108.826  -4.762  -1.768
  257   3HD1  LEU  38          3HD1      LEU  38 107.963  -4.278  -0.309
  258   1HD2  LEU  38          1HD2      LEU  38 107.223  -2.389   0.065
  259   2HD2  LEU  38          2HD2      LEU  38 107.122  -1.164  -1.197
  260   3HD2  LEU  38          3HD2      LEU  38 108.459  -1.139  -0.050
  261    H    GLU  39           H        GLU  39 112.342  -0.046  -2.551
  262    HA   GLU  39           HA       GLU  39 112.546   1.375  -0.102
  263   1HB   GLU  39          1HB       GLU  39 114.802   1.606  -0.544
  264   2HB   GLU  39          2HB       GLU  39 114.395   0.137  -1.420
  265   1HG   GLU  39          1HG       GLU  39 114.674   2.885  -2.614
  266   2HG   GLU  39          2HG       GLU  39 115.859   1.585  -2.714
  267    H    ARG  40           H        ARG  40 110.873   2.285  -2.679
  268    HA   ARG  40           HA       ARG  40 111.626   5.119  -2.448
  269   1HB   ARG  40          1HB       ARG  40 111.425   3.527  -4.720
  270   2HB   ARG  40          2HB       ARG  40 109.932   4.456  -4.714
  271   1HG   ARG  40          1HG       ARG  40 111.929   6.306  -4.127
  272   2HG   ARG  40          2HG       ARG  40 112.611   5.277  -5.388
  273   1HD   ARG  40          1HD       ARG  40 109.821   6.257  -5.716
  274   2HD   ARG  40          2HD       ARG  40 111.142   7.397  -5.968
  275    HE   ARG  40           HE       ARG  40 111.477   4.923  -7.387
  276   1HH1  ARG  40          1HH1      ARG  40 110.035   8.100  -7.488
  277   2HH1  ARG  40          2HH1      ARG  40 109.966   8.151  -9.218
  278   1HH2  ARG  40          1HH2      ARG  40 111.387   4.988  -9.663
  279   2HH2  ARG  40          2HH2      ARG  40 110.733   6.384 -10.454
  280    H    HIS  41           H        HIS  41 109.324   2.775  -1.758
  281    HA   HIS  41           HA       HIS  41 107.039   4.563  -1.768
  282   1HB   HIS  41          1HB       HIS  41 107.509   1.656  -1.529
  283   2HB   HIS  41          2HB       HIS  41 106.163   2.283  -0.591
  284    HD1  HIS  41           HD1      HIS  41 104.391   3.754  -2.090
  285    HD2  HIS  41           HD2      HIS  41 106.910   1.143  -4.115
  286    HE1  HIS  41           HE1      HIS  41 103.337   3.415  -4.347
  287    HE2  HIS  41           HE2      HIS  41 104.938   1.925  -5.594
  288    H    LEU  42           H        LEU  42 109.589   3.936   0.269
  289    HA   LEU  42           HA       LEU  42 108.166   4.076   2.765
  290   1HB   LEU  42          1HB       LEU  42 111.098   4.189   2.065
  291   2HB   LEU  42          2HB       LEU  42 110.471   4.183   3.708
  292    HG   LEU  42           HG       LEU  42 109.433   1.968   2.139
  293   1HD1  LEU  42          1HD1      LEU  42 112.115   2.582   1.618
  294   2HD1  LEU  42          2HD1      LEU  42 111.246   1.095   1.233
  295   3HD1  LEU  42          3HD1      LEU  42 112.129   1.230   2.758
  296   1HD2  LEU  42          1HD2      LEU  42 109.344   2.303   4.597
  297   2HD2  LEU  42          2HD2      LEU  42 111.084   2.017   4.641
  298   3HD2  LEU  42          3HD2      LEU  42 109.991   0.744   4.092
  299    H    SER  43           H        SER  43 108.043   5.813   4.113
  300    HA   SER  43           HA       SER  43 108.288   8.408   2.899
  301   1HB   SER  43          1HB       SER  43 107.714   8.939   5.512
  302   2HB   SER  43          2HB       SER  43 106.497   8.563   4.289
  303    HG   SER  43           HG       SER  43 107.170   7.169   6.482
  304    H    ALA  44           H        ALA  44 109.391  10.212   4.100
  305    HA   ALA  44           HA       ALA  44 112.103   9.872   4.203
  306   1HB   ALA  44          1HB       ALA  44 111.019  12.066   4.172
  307   2HB   ALA  44          2HB       ALA  44 112.229  11.968   5.450
  308   3HB   ALA  44          3HB       ALA  44 110.515  11.843   5.847
  309    H    GLU  45           H        GLU  45 109.843   9.643   6.921
  310    HA   GLU  45           HA       GLU  45 111.759   9.159   8.924
  311   1HB   GLU  45          1HB       GLU  45 109.674   7.796   9.912
  312   2HB   GLU  45          2HB       GLU  45 109.765   9.549   9.950
  313   1HG   GLU  45          1HG       GLU  45 108.531   8.343   7.554
  314   2HG   GLU  45          2HG       GLU  45 107.639   8.201   9.067
  315    H    ASP  46           H        ASP  46 109.688   6.876   7.170
  316    HA   ASP  46           HA       ASP  46 110.752   4.524   8.156
  317   1HB   ASP  46          1HB       ASP  46 109.642   5.019   5.385
  318   2HB   ASP  46          2HB       ASP  46 109.832   3.440   6.150
  319    H    PHE  47           H        PHE  47 111.617   6.114   5.062
  320    HA   PHE  47           HA       PHE  47 113.664   4.395   4.341
  321   1HB   PHE  47          1HB       PHE  47 112.558   6.376   3.062
  322   2HB   PHE  47          2HB       PHE  47 113.854   7.334   3.783
  323    HD1  PHE  47           HD1      PHE  47 113.248   4.267   1.786
  324    HD2  PHE  47           HD2      PHE  47 115.923   7.429   2.764
  325    HE1  PHE  47           HE1      PHE  47 114.787   3.526  -0.001
  326    HE2  PHE  47           HE2      PHE  47 117.459   6.694   0.984
  327    HZ   PHE  47           HZ       PHE  47 116.884   4.745  -0.403
  328    H    SER  48           H        SER  48 114.009   7.553   5.959
  329    HA   SER  48           HA       SER  48 116.765   7.295   6.444
  330   1HB   SER  48          1HB       SER  48 115.761   9.475   6.507
  331   2HB   SER  48          2HB       SER  48 114.655   8.991   7.793
  332    HG   SER  48           HG       SER  48 116.785  10.198   8.246
  333    H    ARG  49           H        ARG  49 114.120   5.749   7.931
  334    HA   ARG  49           HA       ARG  49 115.514   5.334  10.456
  335   1HB   ARG  49          1HB       ARG  49 113.126   5.800  10.559
  336   2HB   ARG  49          2HB       ARG  49 112.788   4.427   9.516
  337   1HG   ARG  49          1HG       ARG  49 112.340   3.470  11.518
  338   2HG   ARG  49          2HG       ARG  49 114.070   3.130  11.443
  339   1HD   ARG  49          1HD       ARG  49 114.150   4.102  13.459
  340   2HD   ARG  49          2HD       ARG  49 114.037   5.618  12.561
  341    HE   ARG  49           HE       ARG  49 111.453   4.964  12.917
  342   1HH1  ARG  49          1HH1      ARG  49 114.146   5.151  15.130
  343   2HH1  ARG  49          2HH1      ARG  49 113.160   5.573  16.490
  344   1HH2  ARG  49          1HH2      ARG  49 110.156   5.520  14.704
  345   2HH2  ARG  49          2HH2      ARG  49 110.895   5.783  16.248
  346    H    VAL  50           H        VAL  50 114.637   3.592   7.538
  347    HA   VAL  50           HA       VAL  50 115.622   1.078   8.634
  348    HB   VAL  50           HB       VAL  50 114.672   1.552   5.814
  349   1HG1  VAL  50          1HG1      VAL  50 115.978  -0.543   6.566
  350   2HG1  VAL  50          2HG1      VAL  50 114.498  -0.749   5.628
  351   3HG1  VAL  50          3HG1      VAL  50 114.478  -0.992   7.374
  352   1HG2  VAL  50          1HG2      VAL  50 112.492   1.333   6.386
  353   2HG2  VAL  50          2HG2      VAL  50 113.063   2.078   7.882
  354   3HG2  VAL  50          3HG2      VAL  50 112.846   0.331   7.793
  355    H    PHE  51           H        PHE  51 116.516   3.495   6.229
  356    HA   PHE  51           HA       PHE  51 118.964   1.977   5.655
  357   1HB   PHE  51          1HB       PHE  51 117.732   4.282   4.137
  358   2HB   PHE  51          2HB       PHE  51 119.168   3.381   3.655
  359    HD1  PHE  51           HD1      PHE  51 118.606   0.657   3.809
  360    HD2  PHE  51           HD2      PHE  51 115.909   3.804   2.868
  361    HE1  PHE  51           HE1      PHE  51 117.198  -0.928   2.552
  362    HE2  PHE  51           HE2      PHE  51 114.493   2.222   1.611
  363    HZ   PHE  51           HZ       PHE  51 115.147  -0.137   1.452
  364    H    ALA  52           H        ALA  52 117.800   5.099   6.791
  365    HA   ALA  52           HA       ALA  52 118.856   6.687   8.076
  366   1HB   ALA  52          1HB       ALA  52 121.454   5.228   7.832
  367   2HB   ALA  52          2HB       ALA  52 120.187   4.648   8.913
  368   3HB   ALA  52          3HB       ALA  52 120.878   6.256   9.145
  369    H    MET  53           H        MET  53 119.001   6.299   5.030
  370    HA   MET  53           HA       MET  53 120.878   8.504   4.532
  371   1HB   MET  53          1HB       MET  53 120.941   7.129   2.182
  372   2HB   MET  53          2HB       MET  53 122.170   7.042   3.440
  373   1HG   MET  53          1HG       MET  53 121.517   4.977   4.139
  374   2HG   MET  53          2HG       MET  53 119.836   5.221   3.653
  375   1HE   MET  53          1HE       MET  53 119.231   5.657   1.212
  376   2HE   MET  53          2HE       MET  53 119.942   4.782  -0.145
  377   3HE   MET  53          3HE       MET  53 120.677   6.280   0.415
  378    H    SER  54           H        SER  54 120.425   9.679   2.559
  379    HA   SER  54           HA       SER  54 117.687  10.404   2.445
  380   1HB   SER  54          1HB       SER  54 119.441  12.054   2.124
  381   2HB   SER  54          2HB       SER  54 120.039  11.179   0.707
  382    HG   SER  54           HG       SER  54 117.835  12.847   0.978
  383    HA   PRO  55           HA       PRO  55 116.005   7.661  -0.615
  384   1HB   PRO  55          1HB       PRO  55 114.764  10.168  -1.662
  385   2HB   PRO  55          2HB       PRO  55 114.008   8.614  -1.288
  386   1HG   PRO  55          1HG       PRO  55 113.727  10.698   0.352
  387   2HG   PRO  55          2HG       PRO  55 113.918   9.052   0.986
  388   1HD   PRO  55          1HD       PRO  55 115.878  11.294   0.912
  389   2HD   PRO  55          2HD       PRO  55 115.692   9.990   2.106
  390    H    GLU  56           H        GLU  56 117.526  10.712  -1.384
  391    HA   GLU  56           HA       GLU  56 117.972  10.066  -4.155
  392   1HB   GLU  56          1HB       GLU  56 119.091  12.163  -4.303
  393   2HB   GLU  56          2HB       GLU  56 117.712  12.411  -3.236
  394   1HG   GLU  56          1HG       GLU  56 119.297  13.488  -2.033
  395   2HG   GLU  56          2HG       GLU  56 119.512  11.860  -1.379
  396    H    GLU  57           H        GLU  57 119.691   9.886  -1.114
  397    HA   GLU  57           HA       GLU  57 122.281   9.445  -2.000
  398   1HB   GLU  57          1HB       GLU  57 120.785   8.871   0.492
  399   2HB   GLU  57          2HB       GLU  57 122.134   7.787   0.182
  400   1HG   GLU  57          1HG       GLU  57 123.581   9.796  -0.120
  401   2HG   GLU  57          2HG       GLU  57 122.220  10.777   0.420
  402    H    PHE  58           H        PHE  58 119.749   7.013  -1.342
  403    HA   PHE  58           HA       PHE  58 121.011   4.667  -1.973
  404   1HB   PHE  58          1HB       PHE  58 118.435   5.373  -1.493
  405   2HB   PHE  58          2HB       PHE  58 118.330   5.018  -3.215
  406    HD1  PHE  58           HD1      PHE  58 118.432   3.658   0.095
  407    HD2  PHE  58           HD2      PHE  58 119.066   2.727  -4.010
  408    HE1  PHE  58           HE1      PHE  58 118.202   1.267   0.609
  409    HE2  PHE  58           HE2      PHE  58 118.834   0.330  -3.501
  410    HZ   PHE  58           HZ       PHE  58 118.403  -0.406  -1.190
  411    H    GLY  59           H        GLY  59 119.121   6.495  -4.401
  412   1HA   GLY  59          1HA       GLY  59 119.955   5.090  -6.636
  413   2HA   GLY  59          2HA       GLY  59 119.438   6.768  -6.660
  414    H    LYS  60           H        LYS  60 121.715   7.430  -4.784
  415    HA   LYS  60           HA       LYS  60 123.729   7.712  -6.885
  416   1HB   LYS  60          1HB       LYS  60 123.028   9.222  -4.419
  417   2HB   LYS  60          2HB       LYS  60 124.717   9.236  -4.926
  418   1HG   LYS  60          1HG       LYS  60 124.068  11.019  -6.122
  419   2HG   LYS  60          2HG       LYS  60 123.509   9.795  -7.270
  420   1HD   LYS  60          1HD       LYS  60 121.290   9.860  -6.070
  421   2HD   LYS  60          2HD       LYS  60 121.889  11.276  -5.205
  422   1HE   LYS  60          1HE       LYS  60 122.071  12.531  -7.206
  423   2HE   LYS  60          2HE       LYS  60 121.840  11.099  -8.208
  424   1HZ   LYS  60          1HZ       LYS  60 119.569  10.938  -7.331
  425   2HZ   LYS  60          2HZ       LYS  60 119.831  12.393  -8.151
  426   3HZ   LYS  60          3HZ       LYS  60 119.802  12.371  -6.460
  427    H    LEU  61           H        LEU  61 123.111   5.522  -4.522
  428    HA   LEU  61           HA       LEU  61 125.726   5.272  -3.400
  429   1HB   LEU  61          1HB       LEU  61 123.258   3.529  -3.314
  430   2HB   LEU  61          2HB       LEU  61 124.712   3.202  -2.402
  431    HG   LEU  61           HG       LEU  61 122.756   5.418  -2.017
  432   1HD1  LEU  61          1HD1      LEU  61 123.404   4.402   0.403
  433   2HD1  LEU  61          2HD1      LEU  61 123.583   2.985  -0.631
  434   3HD1  LEU  61          3HD1      LEU  61 122.052   3.856  -0.589
  435   1HD2  LEU  61          1HD2      LEU  61 124.344   6.289  -0.286
  436   2HD2  LEU  61          2HD2      LEU  61 124.854   6.552  -1.954
  437   3HD2  LEU  61          3HD2      LEU  61 125.585   5.260  -1.002
  438    H    ALA  62           H        ALA  62 125.513   2.281  -3.614
  439    HA   ALA  62           HA       ALA  62 126.393   1.947  -6.395
  440   1HB   ALA  62          1HB       ALA  62 127.686   0.538  -4.079
  441   2HB   ALA  62          2HB       ALA  62 128.274   2.075  -4.711
  442   3HB   ALA  62          3HB       ALA  62 128.250   0.646  -5.745
  443    H    LEU  63           H        LEU  63 126.583  -0.476  -6.940
  444    HA   LEU  63           HA       LEU  63 124.014  -1.635  -6.631
  445   1HB   LEU  63          1HB       LEU  63 125.651  -1.887  -8.566
  446   2HB   LEU  63          2HB       LEU  63 126.478  -3.074  -7.574
  447    HG   LEU  63           HG       LEU  63 123.650  -3.657  -7.713
  448   1HD1  LEU  63          1HD1      LEU  63 123.429  -2.772  -9.826
  449   2HD1  LEU  63          2HD1      LEU  63 123.902  -4.433 -10.176
  450   3HD1  LEU  63          3HD1      LEU  63 125.096  -3.139 -10.272
  451   1HD2  LEU  63          1HD2      LEU  63 125.697  -5.393  -8.958
  452   2HD2  LEU  63          2HD2      LEU  63 124.398  -5.794  -7.834
  453   3HD2  LEU  63          3HD2      LEU  63 125.878  -5.041  -7.239
  454    H    TRP  64           H        TRP  64 126.999  -1.991  -4.896
  455    HA   TRP  64           HA       TRP  64 126.150  -4.413  -3.566
  456   1HB   TRP  64          1HB       TRP  64 128.357  -4.065  -2.378
  457   2HB   TRP  64          2HB       TRP  64 128.479  -4.258  -4.132
  458    HD1  TRP  64           HD1      TRP  64 129.469  -2.232  -5.479
  459    HE1  TRP  64           HE1      TRP  64 130.393   0.067  -4.800
  460    HE3  TRP  64           HE3      TRP  64 127.905  -2.211  -0.739
  461    HZ2  TRP  64           HZ2      TRP  64 130.443   1.680  -2.430
  462    HZ3  TRP  64           HZ3      TRP  64 128.426  -0.258   0.708
  463    HH2  TRP  64           HH2      TRP  64 129.654   1.641  -0.135
  464    H    LYS  65           H        LYS  65 126.458  -0.993  -3.101
  465    HA   LYS  65           HA       LYS  65 125.905  -0.980  -0.297
  466   1HB   LYS  65          1HB       LYS  65 126.865   0.897  -1.961
  467   2HB   LYS  65          2HB       LYS  65 125.169   1.369  -1.968
  468   1HG   LYS  65          1HG       LYS  65 127.114   1.362   0.306
  469   2HG   LYS  65          2HG       LYS  65 126.091   2.671  -0.288
  470   1HD   LYS  65          1HD       LYS  65 124.117   1.556   0.575
  471   2HD   LYS  65          2HD       LYS  65 125.093   0.179   1.095
  472   1HE   LYS  65          1HE       LYS  65 124.791   1.430   3.044
  473   2HE   LYS  65          2HE       LYS  65 126.407   1.885   2.485
  474   1HZ   LYS  65          1HZ       LYS  65 125.366   3.851   1.425
  475   2HZ   LYS  65          2HZ       LYS  65 125.239   3.849   3.112
  476   3HZ   LYS  65          3HZ       LYS  65 123.900   3.442   2.163
  477    H    ARG  66           H        ARG  66 123.934  -0.062  -3.131
  478    HA   ARG  66           HA       ARG  66 121.497   0.290  -1.878
  479   1HB   ARG  66          1HB       ARG  66 122.055  -0.873  -4.608
  480   2HB   ARG  66          2HB       ARG  66 120.480  -0.315  -4.066
  481   1HG   ARG  66          1HG       ARG  66 121.343   1.933  -3.798
  482   2HG   ARG  66          2HG       ARG  66 122.947   1.381  -4.284
  483   1HD   ARG  66          1HD       ARG  66 120.875   0.661  -6.199
  484   2HD   ARG  66          2HD       ARG  66 121.000   2.407  -5.947
  485    HE   ARG  66           HE       ARG  66 123.571   1.652  -6.299
  486   1HH1  ARG  66          1HH1      ARG  66 120.658   1.102  -8.139
  487   2HH1  ARG  66          2HH1      ARG  66 121.484   1.023  -9.659
  488   1HH2  ARG  66          1HH2      ARG  66 124.660   1.547  -8.296
  489   2HH2  ARG  66          2HH2      ARG  66 123.755   1.274  -9.749
  490    H    ASN  67           H        ASN  67 122.986  -2.646  -3.088
  491    HA   ASN  67           HA       ASN  67 120.885  -4.433  -2.626
  492   1HB   ASN  67          1HB       ASN  67 123.792  -4.632  -3.038
  493   2HB   ASN  67          2HB       ASN  67 123.105  -5.962  -2.103
  494   1HD2  ASN  67          1HD2      ASN  67 122.483  -4.077  -5.044
  495   2HD2  ASN  67          2HD2      ASN  67 121.944  -5.417  -5.992
  496    H    GLU  68           H        GLU  68 123.766  -4.121  -0.558
  497    HA   GLU  68           HA       GLU  68 122.990  -5.512   1.622
  498   1HB   GLU  68          1HB       GLU  68 124.724  -3.128   1.256
  499   2HB   GLU  68          2HB       GLU  68 124.292  -3.567   2.903
  500   1HG   GLU  68          1HG       GLU  68 125.434  -5.561   2.819
  501   2HG   GLU  68          2HG       GLU  68 125.350  -5.657   1.061
  502    H    LEU  69           H        LEU  69 122.016  -2.188   0.872
  503    HA   LEU  69           HA       LEU  69 120.724  -1.684   3.329
  504   1HB   LEU  69          1HB       LEU  69 119.938  -0.515   0.673
  505   2HB   LEU  69          2HB       LEU  69 119.698   0.178   2.266
  506    HG   LEU  69           HG       LEU  69 122.458  -0.376   1.423
  507   1HD1  LEU  69          1HD1      LEU  69 121.731   2.271   0.640
  508   2HD1  LEU  69          2HD1      LEU  69 120.742   1.095  -0.217
  509   3HD1  LEU  69          3HD1      LEU  69 122.497   1.001  -0.306
  510   1HD2  LEU  69          1HD2      LEU  69 122.368   0.487   3.564
  511   2HD2  LEU  69          2HD2      LEU  69 121.027   1.565   3.177
  512   3HD2  LEU  69          3HD2      LEU  69 122.651   1.931   2.592
  513    H    LYS  70           H        LYS  70 119.289  -2.382   0.171
  514    HA   LYS  70           HA       LYS  70 116.693  -2.947   1.139
  515   1HB   LYS  70          1HB       LYS  70 118.183  -3.515  -1.389
  516   2HB   LYS  70          2HB       LYS  70 116.669  -4.359  -1.100
  517   1HG   LYS  70          1HG       LYS  70 115.410  -2.449  -1.245
  518   2HG   LYS  70          2HG       LYS  70 116.754  -1.401  -0.776
  519   1HD   LYS  70          1HD       LYS  70 116.870  -0.918  -2.966
  520   2HD   LYS  70          2HD       LYS  70 117.673  -2.483  -3.108
  521   1HE   LYS  70          1HE       LYS  70 114.707  -2.447  -3.168
  522   2HE   LYS  70          2HE       LYS  70 115.557  -1.825  -4.581
  523   1HZ   LYS  70          1HZ       LYS  70 115.468  -3.999  -5.146
  524   2HZ   LYS  70          2HZ       LYS  70 115.414  -4.547  -3.547
  525   3HZ   LYS  70          3HZ       LYS  70 116.888  -4.069  -4.225
  526    H    LYS  71           H        LYS  71 119.618  -4.714   1.174
  527    HA   LYS  71           HA       LYS  71 118.410  -7.319   1.492
  528   1HB   LYS  71          1HB       LYS  71 121.256  -6.293   1.590
  529   2HB   LYS  71          2HB       LYS  71 120.839  -7.977   1.913
  530   1HG   LYS  71          1HG       LYS  71 119.678  -6.991  -0.556
  531   2HG   LYS  71          2HG       LYS  71 121.436  -6.863  -0.534
  532   1HD   LYS  71          1HD       LYS  71 120.101  -9.398   0.331
  533   2HD   LYS  71          2HD       LYS  71 120.329  -9.054  -1.385
  534   1HE   LYS  71          1HE       LYS  71 122.766  -8.645  -0.839
  535   2HE   LYS  71          2HE       LYS  71 122.433  -9.339   0.747
  536   1HZ   LYS  71          1HZ       LYS  71 122.372 -10.654  -1.892
  537   2HZ   LYS  71          2HZ       LYS  71 121.506 -11.300  -0.592
  538   3HZ   LYS  71          3HZ       LYS  71 123.185 -11.129  -0.486
  539    H    LYS  72           H        LYS  72 119.654  -4.756   3.491
  540    HA   LYS  72           HA       LYS  72 119.522  -6.406   5.888
  541   1HB   LYS  72          1HB       LYS  72 121.501  -5.035   5.724
  542   2HB   LYS  72          2HB       LYS  72 120.534  -3.600   5.411
  543   1HG   LYS  72          1HG       LYS  72 119.707  -4.755   7.888
  544   2HG   LYS  72          2HG       LYS  72 121.465  -4.577   7.885
  545   1HD   LYS  72          1HD       LYS  72 121.098  -2.450   8.470
  546   2HD   LYS  72          2HD       LYS  72 120.598  -2.199   6.797
  547   1HE   LYS  72          1HE       LYS  72 118.524  -1.744   7.453
  548   2HE   LYS  72          2HE       LYS  72 118.412  -3.302   8.269
  549   1HZ   LYS  72          1HZ       LYS  72 118.828  -2.385  10.265
  550   2HZ   LYS  72          2HZ       LYS  72 118.263  -0.970   9.531
  551   3HZ   LYS  72          3HZ       LYS  72 119.926  -1.250   9.658
  552    H    ALA  73           H        ALA  73 117.839  -4.013   4.129
  553    HA   ALA  73           HA       ALA  73 116.154  -3.128   6.290
  554   1HB   ALA  73          1HB       ALA  73 116.482  -2.519   3.407
  555   2HB   ALA  73          2HB       ALA  73 116.388  -1.427   4.787
  556   3HB   ALA  73          3HB       ALA  73 114.920  -2.166   4.146
  557    H    GLU  74           H        GLU  74 116.304  -6.007   4.858
  558    HA   GLU  74           HA       GLU  74 114.866  -7.742   4.591
  559   1HB   GLU  74          1HB       GLU  74 113.115  -5.870   6.177
  560   2HB   GLU  74          2HB       GLU  74 112.558  -7.453   5.662
  561   1HG   GLU  74          1HG       GLU  74 113.309  -7.813   7.822
  562   2HG   GLU  74          2HG       GLU  74 114.657  -8.354   6.823
  563    H    LEU  75           H        LEU  75 114.944  -5.294   2.727
  564    HA   LEU  75           HA       LEU  75 112.655  -6.149   1.151
  565   1HB   LEU  75          1HB       LEU  75 112.817  -3.477   0.493
  566   2HB   LEU  75          2HB       LEU  75 111.572  -4.238   1.475
  567    HG   LEU  75           HG       LEU  75 113.759  -3.624   3.151
  568   1HD1  LEU  75          1HD1      LEU  75 113.490  -1.049   2.796
  569   2HD1  LEU  75          2HD1      LEU  75 113.135  -1.530   1.133
  570   3HD1  LEU  75          3HD1      LEU  75 114.680  -1.965   1.867
  571   1HD2  LEU  75          1HD2      LEU  75 110.905  -3.041   2.881
  572   2HD2  LEU  75          2HD2      LEU  75 111.821  -1.804   3.742
  573   3HD2  LEU  75          3HD2      LEU  75 111.845  -3.472   4.312
  574    H    PHE  76           H        PHE  76 114.703  -7.327   0.335
  575    HA   PHE  76           HA       PHE  76 115.697  -5.753  -1.951
  576   1HB   PHE  76          1HB       PHE  76 117.716  -6.013  -0.903
  577   2HB   PHE  76          2HB       PHE  76 117.218  -7.480  -0.055
  578    HD1  PHE  76           HD1      PHE  76 117.290  -9.654  -1.230
  579    HD2  PHE  76           HD2      PHE  76 118.783  -6.091  -3.014
  580    HE1  PHE  76           HE1      PHE  76 118.517 -11.001  -2.884
  581    HE2  PHE  76           HE2      PHE  76 120.013  -7.430  -4.671
  582    HZ   PHE  76           HZ       PHE  76 119.881  -9.888  -4.608
  Start of MODEL   12
    1    HT1  PRO   9           HT1      PRO   9 101.695  14.511  -6.773
    2    HT2  PRO   9           HT2      PRO   9 103.122  14.000  -6.133
    3    HA   PRO   9           HA       PRO   9 102.093  13.391  -8.436
    4   1HB   PRO   9          1HB       PRO   9 104.477  14.710  -9.434
    5   2HB   PRO   9          2HB       PRO   9 102.820  14.781 -10.049
    6   1HG   PRO   9          1HG       PRO   9 104.039  16.881  -8.821
    7   2HG   PRO   9          2HG       PRO   9 102.287  16.612  -8.784
    8   1HD   PRO   9          1HD       PRO   9 104.346  15.973  -6.692
    9   2HD   PRO   9          2HD       PRO   9 102.740  16.701  -6.498
   10    H    GLY  10           H        GLY  10 102.699  11.438  -7.457
   11   1HA   GLY  10          1HA       GLY  10 105.183  10.371  -8.249
   12   2HA   GLY  10          2HA       GLY  10 105.269  10.786  -6.545
   13    H    LEU  11           H        LEU  11 105.199   8.938  -5.490
   14    HA   LEU  11           HA       LEU  11 103.060   7.037  -6.168
   15   1HB   LEU  11          1HB       LEU  11 104.828   5.543  -4.747
   16   2HB   LEU  11          2HB       LEU  11 104.736   5.598  -6.497
   17    HG   LEU  11           HG       LEU  11 106.442   7.598  -6.187
   18   1HD1  LEU  11          1HD1      LEU  11 107.997   7.092  -4.325
   19   2HD1  LEU  11          2HD1      LEU  11 106.812   5.947  -3.695
   20   3HD1  LEU  11          3HD1      LEU  11 106.418   7.664  -3.786
   21   1HD2  LEU  11          1HD2      LEU  11 106.609   5.111  -7.131
   22   2HD2  LEU  11          2HD2      LEU  11 107.692   4.956  -5.748
   23   3HD2  LEU  11          3HD2      LEU  11 108.008   6.174  -6.985
   24    H    GLN  12           H        GLN  12 102.336   5.690  -4.312
   25    HA   GLN  12           HA       GLN  12 101.669   7.396  -2.100
   26   1HB   GLN  12          1HB       GLN  12 100.628   5.123  -1.270
   27   2HB   GLN  12          2HB       GLN  12  99.875   6.043  -2.564
   28   1HG   GLN  12          1HG       GLN  12 101.872   4.009  -3.350
   29   2HG   GLN  12          2HG       GLN  12 100.335   3.427  -2.716
   30   1HE2  GLN  12          1HE2      GLN  12 101.648   3.495  -5.450
   31   2HE2  GLN  12          2HE2      GLN  12 100.420   4.127  -6.486
   32    H    ILE  13           H        ILE  13 102.097   6.983   0.122
   33    HA   ILE  13           HA       ILE  13 104.398   5.232   0.633
   34    HB   ILE  13           HB       ILE  13 104.058   8.003   1.782
   35   1HG1  ILE  13          1HG1      ILE  13 105.736   6.944  -0.490
   36   2HG1  ILE  13          2HG1      ILE  13 104.621   8.310  -0.500
   37   1HG2  ILE  13          1HG2      ILE  13 106.039   7.689   2.932
   38   2HG2  ILE  13          2HG2      ILE  13 106.552   6.359   1.893
   39   3HG2  ILE  13          3HG2      ILE  13 105.267   6.110   3.074
   40   1HD1  ILE  13          1HD1      ILE  13 106.388   9.612  -0.218
   41   2HD1  ILE  13          2HD1      ILE  13 107.436   8.229   0.101
   42   3HD1  ILE  13          3HD1      ILE  13 106.520   8.964   1.417
   43    H    TYR  14           H        TYR  14 104.040   3.844   2.205
   44    HA   TYR  14           HA       TYR  14 102.165   4.533   4.366
   45   1HB   TYR  14          1HB       TYR  14 102.409   1.728   3.294
   46   2HB   TYR  14          2HB       TYR  14 101.123   2.426   4.271
   47    HD1  TYR  14           HD1      TYR  14 102.571   2.346   0.870
   48    HD2  TYR  14           HD2      TYR  14  99.260   3.484   3.287
   49    HE1  TYR  14           HE1      TYR  14 101.247   2.763  -1.152
   50    HE2  TYR  14           HE2      TYR  14  97.924   3.909   1.270
   51    HH   TYR  14           HH       TYR  14  98.402   2.772  -1.523
   52    HA   PRO  15           HA       PRO  15 104.872   2.983   7.530
   53   1HB   PRO  15          1HB       PRO  15 103.526   0.304   7.497
   54   2HB   PRO  15          2HB       PRO  15 103.986   1.315   8.878
   55   1HG   PRO  15          1HG       PRO  15 101.460   1.241   8.073
   56   2HG   PRO  15          2HG       PRO  15 102.198   2.774   8.572
   57   1HD   PRO  15          1HD       PRO  15 101.542   1.784   5.843
   58   2HD   PRO  15          2HD       PRO  15 101.526   3.445   6.475
   59    H    TYR  16           H        TYR  16 106.571   1.296   7.993
   60    HA   TYR  16           HA       TYR  16 107.853   0.597   5.519
   61   1HB   TYR  16          1HB       TYR  16 109.408   1.397   6.995
   62   2HB   TYR  16          2HB       TYR  16 108.600   0.702   8.395
   63    HD1  TYR  16           HD1      TYR  16 110.488  -0.357   5.355
   64    HD2  TYR  16           HD2      TYR  16 109.551  -1.101   9.430
   65    HE1  TYR  16           HE1      TYR  16 112.133  -2.181   5.379
   66    HE2  TYR  16           HE2      TYR  16 111.193  -2.935   9.483
   67    HH   TYR  16           HH       TYR  16 112.296  -4.457   7.907
   68    H    GLU  17           H        GLU  17 107.098  -1.300   8.450
   69    HA   GLU  17           HA       GLU  17 107.690  -3.817   7.591
   70   1HB   GLU  17          1HB       GLU  17 105.434  -2.865   9.344
   71   2HB   GLU  17          2HB       GLU  17 105.745  -4.574   9.070
   72   1HG   GLU  17          1HG       GLU  17 108.187  -3.877   9.800
   73   2HG   GLU  17          2HG       GLU  17 107.306  -2.577  10.607
   74    H    MET  18           H        MET  18 105.007  -1.863   6.541
   75    HA   MET  18           HA       MET  18 103.491  -4.003   5.404
   76   1HB   MET  18          1HB       MET  18 103.207  -1.170   5.774
   77   2HB   MET  18          2HB       MET  18 102.819  -1.584   4.112
   78   1HG   MET  18          1HG       MET  18 101.044  -2.937   4.725
   79   2HG   MET  18          2HG       MET  18 101.642  -3.139   6.374
   80   1HE   MET  18          1HE       MET  18  98.481  -2.357   5.794
   81   2HE   MET  18          2HE       MET  18  98.380  -1.327   7.221
   82   3HE   MET  18          3HE       MET  18  99.326  -2.815   7.273
   83    H    LEU  19           H        LEU  19 105.859  -1.698   4.166
   84    HA   LEU  19           HA       LEU  19 105.585  -2.701   1.446
   85   1HB   LEU  19          1HB       LEU  19 107.727  -0.811   2.352
   86   2HB   LEU  19          2HB       LEU  19 106.947  -0.927   0.785
   87    HG   LEU  19           HG       LEU  19 105.773   0.210   3.312
   88   1HD1  LEU  19          1HD1      LEU  19 107.091   1.333   0.960
   89   2HD1  LEU  19          2HD1      LEU  19 106.827   2.031   2.558
   90   3HD1  LEU  19          3HD1      LEU  19 105.544   2.086   1.349
   91   1HD2  LEU  19          1HD2      LEU  19 104.187   0.647   0.970
   92   2HD2  LEU  19          2HD2      LEU  19 103.732  -0.083   2.510
   93   3HD2  LEU  19          3HD2      LEU  19 104.421  -1.081   1.231
   94    H    VAL  20           H        VAL  20 106.954  -4.084   3.996
   95    HA   VAL  20           HA       VAL  20 109.628  -4.544   3.255
   96    HB   VAL  20           HB       VAL  20 107.836  -6.479   4.725
   97   1HG1  VAL  20          1HG1      VAL  20 110.818  -6.096   4.638
   98   2HG1  VAL  20          2HG1      VAL  20 109.906  -7.514   4.108
   99   3HG1  VAL  20          3HG1      VAL  20 109.989  -7.101   5.823
  100   1HG2  VAL  20          1HG2      VAL  20 108.235  -5.376   6.707
  101   2HG2  VAL  20          2HG2      VAL  20 107.978  -4.046   5.574
  102   3HG2  VAL  20          3HG2      VAL  20 109.614  -4.490   6.059
  103    H    VAL  21           H        VAL  21 110.506  -6.653   2.411
  104    HA   VAL  21           HA       VAL  21 108.878  -7.435   0.113
  105    HB   VAL  21           HB       VAL  21 111.812  -7.906   0.628
  106   1HG1  VAL  21          1HG1      VAL  21 110.068  -9.133  -1.222
  107   2HG1  VAL  21          2HG1      VAL  21 111.826  -9.247  -1.145
  108   3HG1  VAL  21          3HG1      VAL  21 111.066  -7.998  -2.131
  109   1HG2  VAL  21          1HG2      VAL  21 110.957  -5.514   0.324
  110   2HG2  VAL  21          2HG2      VAL  21 110.637  -5.980  -1.346
  111   3HG2  VAL  21          3HG2      VAL  21 112.278  -6.052  -0.711
  112    H    THR  22           H        THR  22 111.217  -9.225   2.169
  113    HA   THR  22           HA       THR  22 109.546 -11.596   1.736
  114    HB   THR  22           HB       THR  22 111.987 -11.551   1.069
  115    HG1  THR  22           HG1      THR  22 110.694 -13.477   1.462
  116   1HG2  THR  22          1HG2      THR  22 112.872 -10.497   3.121
  117   2HG2  THR  22          2HG2      THR  22 113.658 -12.021   2.709
  118   3HG2  THR  22          3HG2      THR  22 112.464 -11.967   4.006
  119    H    ASN  23           H        ASN  23 111.368 -10.036   4.353
  120    HA   ASN  23           HA       ASN  23 110.766 -11.687   6.435
  121   1HB   ASN  23          1HB       ASN  23 110.906  -8.671   6.550
  122   2HB   ASN  23          2HB       ASN  23 111.096  -9.767   7.920
  123   1HD2  ASN  23          1HD2      ASN  23 112.506  -8.640   4.934
  124   2HD2  ASN  23          2HD2      ASN  23 114.112  -9.197   5.250
  125    H    LYS  24           H        LYS  24 108.650  -9.172   5.100
  126    HA   LYS  24           HA       LYS  24 106.556 -10.135   6.938
  127   1HB   LYS  24          1HB       LYS  24 107.375  -7.436   6.139
  128   2HB   LYS  24          2HB       LYS  24 105.636  -7.704   6.087
  129   1HG   LYS  24          1HG       LYS  24 106.408  -6.785   8.233
  130   2HG   LYS  24          2HG       LYS  24 105.627  -8.358   8.405
  131   1HD   LYS  24          1HD       LYS  24 107.586  -8.333   9.790
  132   2HD   LYS  24          2HD       LYS  24 107.889  -9.404   8.422
  133   1HE   LYS  24          1HE       LYS  24 109.826  -8.233   8.329
  134   2HE   LYS  24          2HE       LYS  24 108.829  -7.120   7.394
  135   1HZ   LYS  24          1HZ       LYS  24 110.018  -5.888   9.034
  136   2HZ   LYS  24          2HZ       LYS  24 109.503  -6.913  10.277
  137   3HZ   LYS  24          3HZ       LYS  24 108.389  -5.910   9.492
  138    H    GLY  25           H        GLY  25 107.241 -11.183   4.224
  139   1HA   GLY  25          1HA       GLY  25 105.097 -12.143   3.167
  140   2HA   GLY  25          2HA       GLY  25 104.761 -10.461   2.800
  141    H    ARG  26           H        ARG  26 104.870 -10.393   0.644
  142    HA   ARG  26           HA       ARG  26 107.446 -10.767  -0.614
  143   1HB   ARG  26          1HB       ARG  26 106.304 -12.130  -2.473
  144   2HB   ARG  26          2HB       ARG  26 106.756 -12.964  -0.995
  145   1HG   ARG  26          1HG       ARG  26 103.989 -11.904  -1.508
  146   2HG   ARG  26          2HG       ARG  26 104.500 -13.536  -1.929
  147   1HD   ARG  26          1HD       ARG  26 105.309 -13.450   0.630
  148   2HD   ARG  26          2HD       ARG  26 103.941 -12.339   0.715
  149    HE   ARG  26           HE       ARG  26 102.894 -14.448  -0.585
  150   1HH1  ARG  26          1HH1      ARG  26 104.743 -14.199   2.366
  151   2HH1  ARG  26          2HH1      ARG  26 104.010 -15.591   3.088
  152   1HH2  ARG  26          1HH2      ARG  26 101.929 -16.278   0.366
  153   2HH2  ARG  26          2HH2      ARG  26 102.413 -16.772   1.954
  154    H    THR  27           H        THR  27 104.001 -10.150  -1.144
  155    HA   THR  27           HA       THR  27 104.613  -7.680  -2.514
  156    HB   THR  27           HB       THR  27 103.757 -10.139  -3.844
  157    HG1  THR  27           HG1      THR  27 104.883  -7.687  -4.685
  158   1HG2  THR  27          1HG2      THR  27 101.604  -9.073  -3.974
  159   2HG2  THR  27          2HG2      THR  27 102.388  -9.054  -5.555
  160   3HG2  THR  27          3HG2      THR  27 102.345  -7.589  -4.575
  161    H    LYS  28           H        LYS  28 103.204  -8.904  -0.126
  162    HA   LYS  28           HA       LYS  28 100.450  -8.223  -0.478
  163   1HB   LYS  28          1HB       LYS  28 102.116  -9.255   1.774
  164   2HB   LYS  28          2HB       LYS  28 100.462  -8.723   2.057
  165   1HG   LYS  28          1HG       LYS  28 100.654 -11.155   1.691
  166   2HG   LYS  28          2HG       LYS  28  99.610 -10.355   0.516
  167   1HD   LYS  28          1HD       LYS  28 101.854 -10.242  -0.887
  168   2HD   LYS  28          2HD       LYS  28 102.289 -11.605   0.142
  169   1HE   LYS  28          1HE       LYS  28  99.846 -11.401  -1.612
  170   2HE   LYS  28          2HE       LYS  28 101.283 -12.371  -1.937
  171   1HZ   LYS  28          1HZ       LYS  28 100.050 -12.879   0.626
  172   2HZ   LYS  28          2HZ       LYS  28 100.612 -13.967  -0.541
  173   3HZ   LYS  28          3HZ       LYS  28  99.076 -13.274  -0.701
  174    H    LEU  29           H        LEU  29 102.793  -6.127  -0.424
  175    HA   LEU  29           HA       LEU  29 102.367  -4.449   1.783
  176   1HB   LEU  29          1HB       LEU  29 102.765  -2.930  -0.676
  177   2HB   LEU  29          2HB       LEU  29 103.683  -2.907   0.811
  178    HG   LEU  29           HG       LEU  29 105.119  -3.437  -1.013
  179   1HD1  LEU  29          1HD1      LEU  29 105.875  -4.603   0.859
  180   2HD1  LEU  29          2HD1      LEU  29 105.757  -5.873  -0.360
  181   3HD1  LEU  29          3HD1      LEU  29 104.496  -5.701   0.864
  182   1HD2  LEU  29          1HD2      LEU  29 102.904  -4.678  -2.062
  183   2HD2  LEU  29          2HD2      LEU  29 104.044  -5.994  -1.773
  184   3HD2  LEU  29          3HD2      LEU  29 104.522  -4.615  -2.755
  185    HA   PRO  30           HA       PRO  30  98.565  -2.277   1.253
  186   1HB   PRO  30          1HB       PRO  30 100.038   0.258   0.773
  187   2HB   PRO  30          2HB       PRO  30  98.836  -0.125   2.013
  188   1HG   PRO  30          1HG       PRO  30 101.438   0.099   2.612
  189   2HG   PRO  30          2HG       PRO  30 100.397  -1.091   3.417
  190   1HD   PRO  30          1HD       PRO  30 102.435  -1.501   1.265
  191   2HD   PRO  30          2HD       PRO  30 101.999  -2.555   2.626
  192    HA   PRO  31           HA       PRO  31  97.902  -1.355  -3.047
  193   1HB   PRO  31          1HB       PRO  31  96.357   0.839  -3.206
  194   2HB   PRO  31          2HB       PRO  31  95.766  -0.670  -2.496
  195   1HG   PRO  31          1HG       PRO  31  96.707   1.819  -1.148
  196   2HG   PRO  31          2HG       PRO  31  95.382   0.733  -0.703
  197   1HD   PRO  31          1HD       PRO  31  97.899   0.731   0.454
  198   2HD   PRO  31          2HD       PRO  31  96.761  -0.628   0.496
  199    H    GLY  32           H        GLY  32  99.763  -0.885  -4.140
  200   1HA   GLY  32          1HA       GLY  32 100.664   0.819  -5.648
  201   2HA   GLY  32          2HA       GLY  32 100.489   1.974  -4.336
  202    H    VAL  33           H        VAL  33 101.743  -1.260  -3.864
  203    HA   VAL  33           HA       VAL  33 104.488  -0.262  -3.717
  204    HB   VAL  33           HB       VAL  33 104.045  -2.067  -1.553
  205   1HG1  VAL  33          1HG1      VAL  33 104.743   0.777  -1.149
  206   2HG1  VAL  33          2HG1      VAL  33 105.819  -0.205  -2.143
  207   3HG1  VAL  33          3HG1      VAL  33 105.483  -0.676  -0.478
  208   1HG2  VAL  33          1HG2      VAL  33 102.249   0.328  -1.696
  209   2HG2  VAL  33          2HG2      VAL  33 102.801  -0.307  -0.149
  210   3HG2  VAL  33          3HG2      VAL  33 101.849  -1.323  -1.229
  211    H    ASP  34           H        ASP  34 105.936  -1.573  -4.542
  212    HA   ASP  34           HA       ASP  34 105.396  -4.436  -4.728
  213   1HB   ASP  34          1HB       ASP  34 104.543  -3.378  -6.828
  214   2HB   ASP  34          2HB       ASP  34 106.175  -2.787  -7.143
  215    H    ARG  35           H        ARG  35 107.246  -5.711  -4.864
  216    HA   ARG  35           HA       ARG  35 109.526  -4.865  -3.586
  217   1HB   ARG  35          1HB       ARG  35 110.633  -6.872  -4.735
  218   2HB   ARG  35          2HB       ARG  35 109.224  -7.179  -3.728
  219   1HG   ARG  35          1HG       ARG  35 108.536  -6.668  -6.509
  220   2HG   ARG  35          2HG       ARG  35 109.600  -8.064  -6.299
  221   1HD   ARG  35          1HD       ARG  35 107.920  -8.657  -4.375
  222   2HD   ARG  35          2HD       ARG  35 106.831  -7.609  -5.281
  223    HE   ARG  35           HE       ARG  35 107.700  -9.235  -7.204
  224   1HH1  ARG  35          1HH1      ARG  35 106.538  -9.947  -3.992
  225   2HH1  ARG  35          2HH1      ARG  35 105.906 -11.498  -4.431
  226   1HH2  ARG  35          1HH2      ARG  35 106.869 -11.272  -7.781
  227   2HH2  ARG  35          2HH2      ARG  35 106.093 -12.250  -6.581
  228    H    MET  36           H        MET  36 108.687  -4.411  -6.917
  229    HA   MET  36           HA       MET  36 111.138  -4.131  -8.144
  230   1HB   MET  36          1HB       MET  36 108.430  -3.350  -8.680
  231   2HB   MET  36          2HB       MET  36 109.511  -2.040  -9.136
  232   1HG   MET  36          1HG       MET  36 110.449  -4.652 -10.011
  233   2HG   MET  36          2HG       MET  36 108.871  -4.218 -10.672
  234   1HE   MET  36          1HE       MET  36 112.271  -1.652 -10.195
  235   2HE   MET  36          2HE       MET  36 112.961  -2.605 -11.509
  236   3HE   MET  36          3HE       MET  36 112.393  -3.406 -10.044
  237    H    ARG  37           H        ARG  37 109.411  -1.770  -6.149
  238    HA   ARG  37           HA       ARG  37 111.913  -0.364  -5.686
  239   1HB   ARG  37          1HB       ARG  37 110.656   1.855  -6.095
  240   2HB   ARG  37          2HB       ARG  37 111.273   0.974  -7.482
  241   1HG   ARG  37          1HG       ARG  37 108.556   0.213  -6.765
  242   2HG   ARG  37          2HG       ARG  37 108.719   1.920  -7.177
  243   1HD   ARG  37          1HD       ARG  37 110.209   0.379  -9.056
  244   2HD   ARG  37          2HD       ARG  37 108.592  -0.309  -8.918
  245    HE   ARG  37           HE       ARG  37 108.193   2.388  -9.154
  246   1HH1  ARG  37          1HH1      ARG  37 109.786  -0.062 -11.063
  247   2HH1  ARG  37          2HH1      ARG  37 109.480   0.735 -12.569
  248   1HH2  ARG  37          1HH2      ARG  37 107.788   3.436 -11.137
  249   2HH2  ARG  37          2HH2      ARG  37 108.345   2.719 -12.611
  250    H    LEU  38           H        LEU  38 110.645  -1.902  -3.866
  251    HA   LEU  38           HA       LEU  38 108.681  -0.641  -2.323
  252   1HB   LEU  38          1HB       LEU  38 110.614  -2.851  -1.895
  253   2HB   LEU  38          2HB       LEU  38 109.875  -2.139  -0.466
  254    HG   LEU  38           HG       LEU  38 108.378  -3.329  -2.799
  255   1HD1  LEU  38          1HD1      LEU  38 108.870  -5.265  -1.812
  256   2HD1  LEU  38          2HD1      LEU  38 107.733  -4.765  -0.561
  257   3HD1  LEU  38          3HD1      LEU  38 109.458  -4.472  -0.351
  258   1HD2  LEU  38          1HD2      LEU  38 106.516  -2.421  -2.005
  259   2HD2  LEU  38          2HD2      LEU  38 107.535  -1.410  -0.982
  260   3HD2  LEU  38          3HD2      LEU  38 106.890  -2.927  -0.358
  261    H    GLU  39           H        GLU  39 112.128  -0.169  -2.465
  262    HA   GLU  39           HA       GLU  39 112.230   1.311  -0.004
  263   1HB   GLU  39          1HB       GLU  39 114.560   1.759  -0.583
  264   2HB   GLU  39          2HB       GLU  39 114.186   0.047  -0.708
  265   1HG   GLU  39          1HG       GLU  39 115.493   0.501  -2.565
  266   2HG   GLU  39          2HG       GLU  39 113.846   0.474  -3.191
  267    H    ARG  40           H        ARG  40 110.621   2.071  -2.586
  268    HA   ARG  40           HA       ARG  40 111.493   4.883  -2.615
  269   1HB   ARG  40          1HB       ARG  40 111.367   3.168  -4.751
  270   2HB   ARG  40          2HB       ARG  40 109.805   3.968  -4.833
  271   1HG   ARG  40          1HG       ARG  40 112.341   5.540  -4.570
  272   2HG   ARG  40          2HG       ARG  40 111.761   4.980  -6.140
  273   1HD   ARG  40          1HD       ARG  40 110.824   7.084  -6.016
  274   2HD   ARG  40          2HD       ARG  40 109.519   6.071  -5.398
  275    HE   ARG  40           HE       ARG  40 109.751   7.077  -3.356
  276   1HH1  ARG  40          1HH1      ARG  40 112.574   7.778  -5.284
  277   2HH1  ARG  40          2HH1      ARG  40 113.222   8.912  -4.148
  278   1HH2  ARG  40          1HH2      ARG  40 110.603   8.568  -1.860
  279   2HH2  ARG  40          2HH2      ARG  40 112.105   9.361  -2.204
  280    H    HIS  41           H        HIS  41 109.267   2.779  -1.487
  281    HA   HIS  41           HA       HIS  41 107.011   4.632  -1.682
  282   1HB   HIS  41          1HB       HIS  41 107.194   1.687  -1.043
  283   2HB   HIS  41          2HB       HIS  41 105.719   2.621  -0.872
  284    HD1  HIS  41           HD1      HIS  41 104.899   3.820  -3.193
  285    HD2  HIS  41           HD2      HIS  41 107.562   0.646  -3.522
  286    HE1  HIS  41           HE1      HIS  41 104.739   3.053  -5.581
  287    HE2  HIS  41           HE2      HIS  41 106.302   1.084  -5.738
  288    H    LEU  42           H        LEU  42 109.517   3.984   0.341
  289    HA   LEU  42           HA       LEU  42 108.119   4.014   2.846
  290   1HB   LEU  42          1HB       LEU  42 111.001   4.116   2.001
  291   2HB   LEU  42          2HB       LEU  42 110.520   4.311   3.681
  292    HG   LEU  42           HG       LEU  42 109.299   1.960   2.523
  293   1HD1  LEU  42          1HD1      LEU  42 111.998   2.449   1.712
  294   2HD1  LEU  42          2HD1      LEU  42 110.945   1.083   1.344
  295   3HD1  LEU  42          3HD1      LEU  42 111.937   1.059   2.805
  296   1HD2  LEU  42          1HD2      LEU  42 110.531   2.887   4.939
  297   2HD2  LEU  42          2HD2      LEU  42 111.086   1.268   4.527
  298   3HD2  LEU  42          3HD2      LEU  42 109.361   1.593   4.695
  299    H    SER  43           H        SER  43 107.888   5.716   4.205
  300    HA   SER  43           HA       SER  43 107.907   8.333   3.109
  301   1HB   SER  43          1HB       SER  43 106.497   7.255   5.085
  302   2HB   SER  43          2HB       SER  43 107.804   7.922   6.068
  303    HG   SER  43           HG       SER  43 105.797   9.208   4.670
  304    H    ALA  44           H        ALA  44 109.084  10.185   4.006
  305    HA   ALA  44           HA       ALA  44 111.810   9.962   3.850
  306   1HB   ALA  44          1HB       ALA  44 110.112  12.042   4.170
  307   2HB   ALA  44          2HB       ALA  44 111.866  12.176   4.279
  308   3HB   ALA  44          3HB       ALA  44 110.900  12.024   5.747
  309    H    GLU  45           H        GLU  45 109.867   9.958   6.822
  310    HA   GLU  45           HA       GLU  45 111.997   9.647   8.627
  311   1HB   GLU  45          1HB       GLU  45 110.055   8.371   9.958
  312   2HB   GLU  45          2HB       GLU  45 110.117  10.120   9.825
  313   1HG   GLU  45          1HG       GLU  45 108.656   8.703   7.693
  314   2HG   GLU  45          2HG       GLU  45 107.936   8.664   9.301
  315    H    ASP  46           H        ASP  46 109.793   7.219   7.281
  316    HA   ASP  46           HA       ASP  46 110.983   4.966   8.367
  317   1HB   ASP  46          1HB       ASP  46 109.605   5.173   5.678
  318   2HB   ASP  46          2HB       ASP  46 109.852   3.695   6.610
  319    H    PHE  47           H        PHE  47 111.529   6.302   5.068
  320    HA   PHE  47           HA       PHE  47 113.455   4.540   4.231
  321   1HB   PHE  47          1HB       PHE  47 112.392   6.523   2.975
  322   2HB   PHE  47          2HB       PHE  47 113.707   7.483   3.661
  323    HD1  PHE  47           HD1      PHE  47 113.034   4.419   1.700
  324    HD2  PHE  47           HD2      PHE  47 115.767   7.543   2.612
  325    HE1  PHE  47           HE1      PHE  47 114.547   3.619  -0.089
  326    HE2  PHE  47           HE2      PHE  47 117.282   6.755   0.837
  327    HZ   PHE  47           HZ       PHE  47 116.667   4.796  -0.520
  328    H    SER  48           H        SER  48 114.091   7.665   5.833
  329    HA   SER  48           HA       SER  48 116.857   7.169   6.165
  330   1HB   SER  48          1HB       SER  48 115.484   9.411   6.270
  331   2HB   SER  48          2HB       SER  48 115.372   9.024   7.988
  332    HG   SER  48           HG       SER  48 117.251  10.330   7.165
  333    H    ARG  49           H        ARG  49 114.169   5.881   7.722
  334    HA   ARG  49           HA       ARG  49 115.464   5.471  10.287
  335   1HB   ARG  49          1HB       ARG  49 113.108   5.972  10.336
  336   2HB   ARG  49          2HB       ARG  49 112.757   4.674   9.206
  337   1HG   ARG  49          1HG       ARG  49 114.087   3.509  11.397
  338   2HG   ARG  49          2HG       ARG  49 112.869   4.604  12.050
  339   1HD   ARG  49          1HD       ARG  49 111.556   3.315   9.986
  340   2HD   ARG  49          2HD       ARG  49 112.549   2.046  10.710
  341    HE   ARG  49           HE       ARG  49 111.267   3.441  12.767
  342   1HH1  ARG  49          1HH1      ARG  49 110.464   1.323  10.111
  343   2HH1  ARG  49          2HH1      ARG  49 109.057   0.679  10.887
  344   1HH2  ARG  49          1HH2      ARG  49 109.417   2.595  13.789
  345   2HH2  ARG  49          2HH2      ARG  49 108.462   1.401  12.975
  346    H    VAL  50           H        VAL  50 114.464   3.596   7.456
  347    HA   VAL  50           HA       VAL  50 115.508   1.139   8.611
  348    HB   VAL  50           HB       VAL  50 114.539   1.423   5.779
  349   1HG1  VAL  50          1HG1      VAL  50 115.703  -0.655   6.683
  350   2HG1  VAL  50          2HG1      VAL  50 114.151  -0.882   5.872
  351   3HG1  VAL  50          3HG1      VAL  50 114.241  -0.915   7.633
  352   1HG2  VAL  50          1HG2      VAL  50 112.695   0.656   8.006
  353   2HG2  VAL  50          2HG2      VAL  50 112.312   1.175   6.364
  354   3HG2  VAL  50          3HG2      VAL  50 112.896   2.347   7.547
  355    H    PHE  51           H        PHE  51 116.296   3.406   6.015
  356    HA   PHE  51           HA       PHE  51 118.696   1.852   5.383
  357   1HB   PHE  51          1HB       PHE  51 117.440   4.204   3.960
  358   2HB   PHE  51          2HB       PHE  51 118.885   3.350   3.421
  359    HD1  PHE  51           HD1      PHE  51 115.649   3.753   2.651
  360    HD2  PHE  51           HD2      PHE  51 118.343   0.600   3.552
  361    HE1  PHE  51           HE1      PHE  51 114.253   2.198   1.336
  362    HE2  PHE  51           HE2      PHE  51 116.961  -0.960   2.243
  363    HZ   PHE  51           HZ       PHE  51 114.917  -0.158   1.135
  364    H    ALA  52           H        ALA  52 117.723   5.062   6.519
  365    HA   ALA  52           HA       ALA  52 118.901   6.590   7.776
  366   1HB   ALA  52          1HB       ALA  52 121.399   4.975   7.459
  367   2HB   ALA  52          2HB       ALA  52 120.146   4.509   8.611
  368   3HB   ALA  52          3HB       ALA  52 120.951   6.071   8.765
  369    H    MET  53           H        MET  53 118.888   6.216   4.748
  370    HA   MET  53           HA       MET  53 120.839   8.329   4.148
  371   1HB   MET  53          1HB       MET  53 120.906   6.940   1.849
  372   2HB   MET  53          2HB       MET  53 122.079   6.740   3.146
  373   1HG   MET  53          1HG       MET  53 121.325   4.697   3.710
  374   2HG   MET  53          2HG       MET  53 119.644   5.101   3.352
  375   1HE   MET  53          1HE       MET  53 118.913   5.668   0.918
  376   2HE   MET  53          2HE       MET  53 119.559   4.862  -0.513
  377   3HE   MET  53          3HE       MET  53 120.389   6.262   0.154
  378    H    SER  54           H        SER  54 120.368   9.462   2.161
  379    HA   SER  54           HA       SER  54 117.630  10.186   2.045
  380   1HB   SER  54          1HB       SER  54 120.057  10.948   0.425
  381   2HB   SER  54          2HB       SER  54 118.453  11.621   0.101
  382    HG   SER  54           HG       SER  54 118.800  12.948   1.680
  383    HA   PRO  55           HA       PRO  55 115.981   7.325  -0.934
  384   1HB   PRO  55          1HB       PRO  55 114.420   9.286  -2.253
  385   2HB   PRO  55          2HB       PRO  55 113.882   8.176  -0.991
  386   1HG   PRO  55          1HG       PRO  55 114.656  11.024  -0.795
  387   2HG   PRO  55          2HG       PRO  55 113.558  10.076   0.226
  388   1HD   PRO  55          1HD       PRO  55 116.022  10.843   1.041
  389   2HD   PRO  55          2HD       PRO  55 115.260   9.333   1.584
  390    H    GLU  56           H        GLU  56 117.379  10.415  -1.734
  391    HA   GLU  56           HA       GLU  56 117.760   9.791  -4.520
  392   1HB   GLU  56          1HB       GLU  56 118.819  11.919  -4.687
  393   2HB   GLU  56          2HB       GLU  56 117.462  12.125  -3.584
  394   1HG   GLU  56          1HG       GLU  56 119.315  11.618  -1.773
  395   2HG   GLU  56          2HG       GLU  56 120.378  12.219  -3.049
  396    H    GLU  57           H        GLU  57 119.567   9.656  -1.522
  397    HA   GLU  57           HA       GLU  57 122.140   9.278  -2.482
  398   1HB   GLU  57          1HB       GLU  57 120.739   8.650   0.059
  399   2HB   GLU  57          2HB       GLU  57 122.105   7.602  -0.307
  400   1HG   GLU  57          1HG       GLU  57 123.374   9.807  -0.759
  401   2HG   GLU  57          2HG       GLU  57 122.065  10.546   0.161
  402    H    PHE  58           H        PHE  58 119.702   6.765  -1.747
  403    HA   PHE  58           HA       PHE  58 120.970   4.451  -2.397
  404   1HB   PHE  58          1HB       PHE  58 118.350   5.178  -2.026
  405   2HB   PHE  58          2HB       PHE  58 118.335   4.696  -3.720
  406    HD1  PHE  58           HD1      PHE  58 119.249   2.379  -4.290
  407    HD2  PHE  58           HD2      PHE  58 118.223   3.581  -0.338
  408    HE1  PHE  58           HE1      PHE  58 119.058   0.018  -3.619
  409    HE2  PHE  58           HE2      PHE  58 118.044   1.225   0.341
  410    HZ   PHE  58           HZ       PHE  58 118.468  -0.564  -1.302
  411    H    GLY  59           H        GLY  59 119.108   6.243  -4.870
  412   1HA   GLY  59          1HA       GLY  59 119.979   4.835  -7.082
  413   2HA   GLY  59          2HA       GLY  59 119.462   6.513  -7.122
  414    H    LYS  60           H        LYS  60 121.747   7.163  -5.221
  415    HA   LYS  60           HA       LYS  60 123.784   7.362  -7.321
  416   1HB   LYS  60          1HB       LYS  60 123.456   8.950  -4.770
  417   2HB   LYS  60          2HB       LYS  60 124.714   9.208  -5.976
  418   1HG   LYS  60          1HG       LYS  60 122.839   9.606  -7.636
  419   2HG   LYS  60          2HG       LYS  60 121.760   9.676  -6.237
  420   1HD   LYS  60          1HD       LYS  60 122.368  11.774  -5.813
  421   2HD   LYS  60          2HD       LYS  60 124.073  11.320  -5.779
  422   1HE   LYS  60          1HE       LYS  60 124.063  11.435  -8.280
  423   2HE   LYS  60          2HE       LYS  60 122.431  12.095  -8.184
  424   1HZ   LYS  60          1HZ       LYS  60 123.578  14.023  -8.195
  425   2HZ   LYS  60          2HZ       LYS  60 124.980  13.345  -7.536
  426   3HZ   LYS  60          3HZ       LYS  60 123.677  13.734  -6.531
  427    H    LEU  61           H        LEU  61 123.160   5.293  -4.898
  428    HA   LEU  61           HA       LEU  61 125.741   5.207  -3.654
  429   1HB   LEU  61          1HB       LEU  61 123.364   3.341  -3.525
  430   2HB   LEU  61          2HB       LEU  61 124.780   3.226  -2.506
  431    HG   LEU  61           HG       LEU  61 122.680   5.344  -2.487
  432   1HD1  LEU  61          1HD1      LEU  61 121.880   4.096  -0.860
  433   2HD1  LEU  61          2HD1      LEU  61 123.332   4.452   0.073
  434   3HD1  LEU  61          3HD1      LEU  61 123.266   3.013  -0.946
  435   1HD2  LEU  61          1HD2      LEU  61 125.412   5.404  -1.236
  436   2HD2  LEU  61          2HD2      LEU  61 124.078   6.429  -0.708
  437   3HD2  LEU  61          3HD2      LEU  61 124.708   6.578  -2.347
  438    H    ALA  62           H        ALA  62 125.577   2.191  -3.672
  439    HA   ALA  62           HA       ALA  62 126.592   1.703  -6.387
  440   1HB   ALA  62          1HB       ALA  62 127.784   0.419  -3.952
  441   2HB   ALA  62          2HB       ALA  62 128.372   1.954  -4.585
  442   3HB   ALA  62          3HB       ALA  62 128.442   0.502  -5.585
  443    H    LEU  63           H        LEU  63 126.781  -0.719  -6.827
  444    HA   LEU  63           HA       LEU  63 124.223  -1.887  -6.538
  445   1HB   LEU  63          1HB       LEU  63 125.944  -2.237  -8.386
  446   2HB   LEU  63          2HB       LEU  63 126.727  -3.367  -7.295
  447    HG   LEU  63           HG       LEU  63 123.901  -3.951  -7.532
  448   1HD1  LEU  63          1HD1      LEU  63 125.516  -3.781 -10.059
  449   2HD1  LEU  63          2HD1      LEU  63 123.933  -3.082  -9.721
  450   3HD1  LEU  63          3HD1      LEU  63 124.108  -4.828  -9.889
  451   1HD2  LEU  63          1HD2      LEU  63 124.642  -6.092  -7.471
  452   2HD2  LEU  63          2HD2      LEU  63 126.097  -5.305  -6.857
  453   3HD2  LEU  63          3HD2      LEU  63 125.996  -5.772  -8.555
  454    H    TRP  64           H        TRP  64 127.123  -2.114  -4.653
  455    HA   TRP  64           HA       TRP  64 126.227  -4.467  -3.228
  456   1HB   TRP  64          1HB       TRP  64 128.389  -4.051  -1.980
  457   2HB   TRP  64          2HB       TRP  64 128.573  -4.349  -3.715
  458    HD1  TRP  64           HD1      TRP  64 129.608  -2.405  -5.147
  459    HE1  TRP  64           HE1      TRP  64 130.524  -0.075  -4.572
  460    HE3  TRP  64           HE3      TRP  64 127.893  -2.103  -0.469
  461    HZ2  TRP  64           HZ2      TRP  64 130.512   1.671  -2.299
  462    HZ3  TRP  64           HZ3      TRP  64 128.382  -0.070   0.880
  463    HH2  TRP  64           HH2      TRP  64 129.649   1.770  -0.032
  464    H    LYS  65           H        LYS  65 126.516  -1.025  -2.949
  465    HA   LYS  65           HA       LYS  65 125.840  -0.888  -0.166
  466   1HB   LYS  65          1HB       LYS  65 126.870   0.904  -1.964
  467   2HB   LYS  65          2HB       LYS  65 125.206   1.464  -1.820
  468   1HG   LYS  65          1HG       LYS  65 126.275   0.899   0.782
  469   2HG   LYS  65          2HG       LYS  65 127.354   1.987  -0.095
  470   1HD   LYS  65          1HD       LYS  65 125.344   3.395  -0.623
  471   2HD   LYS  65          2HD       LYS  65 124.424   2.377   0.492
  472   1HE   LYS  65          1HE       LYS  65 125.276   4.497   1.497
  473   2HE   LYS  65          2HE       LYS  65 125.804   3.029   2.332
  474   1HZ   LYS  65          1HZ       LYS  65 127.939   3.391   1.790
  475   2HZ   LYS  65          2HZ       LYS  65 127.447   4.998   1.597
  476   3HZ   LYS  65          3HZ       LYS  65 127.579   3.987   0.247
  477    H    ARG  66           H        ARG  66 124.046  -0.098  -3.153
  478    HA   ARG  66           HA       ARG  66 121.557   0.402  -2.069
  479   1HB   ARG  66          1HB       ARG  66 122.229  -0.986  -4.660
  480   2HB   ARG  66          2HB       ARG  66 120.639  -0.368  -4.252
  481   1HG   ARG  66          1HG       ARG  66 121.547   1.886  -4.098
  482   2HG   ARG  66          2HG       ARG  66 123.146   1.263  -4.507
  483   1HD   ARG  66          1HD       ARG  66 121.076   0.461  -6.401
  484   2HD   ARG  66          2HD       ARG  66 121.275   2.215  -6.289
  485    HE   ARG  66           HE       ARG  66 123.814   1.332  -6.531
  486   1HH1  ARG  66          1HH1      ARG  66 120.910   0.730  -8.368
  487   2HH1  ARG  66          2HH1      ARG  66 121.754   0.475  -9.859
  488   1HH2  ARG  66          1HH2      ARG  66 124.928   0.997  -8.489
  489   2HH2  ARG  66          2HH2      ARG  66 124.036   0.626  -9.927
  490    H    ASN  67           H        ASN  67 123.018  -2.649  -2.986
  491    HA   ASN  67           HA       ASN  67 120.840  -4.337  -2.460
  492   1HB   ASN  67          1HB       ASN  67 123.742  -4.646  -2.829
  493   2HB   ASN  67          2HB       ASN  67 123.007  -5.898  -1.828
  494   1HD2  ASN  67          1HD2      ASN  67 122.682  -4.231  -4.927
  495   2HD2  ASN  67          2HD2      ASN  67 122.026  -5.579  -5.783
  496    H    GLU  68           H        GLU  68 123.704  -3.933  -0.386
  497    HA   GLU  68           HA       GLU  68 122.936  -5.193   1.866
  498   1HB   GLU  68          1HB       GLU  68 125.122  -4.137   1.585
  499   2HB   GLU  68          2HB       GLU  68 124.386  -2.548   1.744
  500   1HG   GLU  68          1HG       GLU  68 125.334  -2.986   3.830
  501   2HG   GLU  68          2HG       GLU  68 123.613  -3.303   4.042
  502    H    LEU  69           H        LEU  69 121.905  -1.937   0.926
  503    HA   LEU  69           HA       LEU  69 120.601  -1.314   3.348
  504   1HB   LEU  69          1HB       LEU  69 119.785  -0.307   0.638
  505   2HB   LEU  69          2HB       LEU  69 119.583   0.483   2.188
  506    HG   LEU  69           HG       LEU  69 122.331  -0.132   1.385
  507   1HD1  LEU  69          1HD1      LEU  69 120.677   1.061  -0.468
  508   2HD1  LEU  69          2HD1      LEU  69 122.436   1.111  -0.443
  509   3HD1  LEU  69          3HD1      LEU  69 121.507   2.404   0.299
  510   1HD2  LEU  69          1HD2      LEU  69 122.307   0.988   3.378
  511   2HD2  LEU  69          2HD2      LEU  69 120.874   1.925   2.953
  512   3HD2  LEU  69          3HD2      LEU  69 122.439   2.344   2.259
  513    H    LYS  70           H        LYS  70 119.183  -2.217   0.238
  514    HA   LYS  70           HA       LYS  70 116.587  -2.784   1.221
  515   1HB   LYS  70          1HB       LYS  70 118.123  -3.420  -1.255
  516   2HB   LYS  70          2HB       LYS  70 116.664  -4.343  -0.934
  517   1HG   LYS  70          1HG       LYS  70 115.314  -2.391  -0.960
  518   2HG   LYS  70          2HG       LYS  70 116.733  -1.339  -0.958
  519   1HD   LYS  70          1HD       LYS  70 116.483  -1.278  -3.181
  520   2HD   LYS  70          2HD       LYS  70 117.142  -2.915  -3.175
  521   1HE   LYS  70          1HE       LYS  70 114.781  -3.741  -2.886
  522   2HE   LYS  70          2HE       LYS  70 114.247  -2.088  -3.194
  523   1HZ   LYS  70          1HZ       LYS  70 115.241  -2.166  -5.359
  524   2HZ   LYS  70          2HZ       LYS  70 114.224  -3.507  -5.187
  525   3HZ   LYS  70          3HZ       LYS  70 115.900  -3.696  -5.064
  526    H    LYS  71           H        LYS  71 119.558  -4.479   1.383
  527    HA   LYS  71           HA       LYS  71 118.411  -7.085   1.850
  528   1HB   LYS  71          1HB       LYS  71 121.223  -5.974   1.910
  529   2HB   LYS  71          2HB       LYS  71 120.855  -7.640   2.357
  530   1HG   LYS  71          1HG       LYS  71 119.678  -6.907  -0.180
  531   2HG   LYS  71          2HG       LYS  71 121.424  -6.678  -0.169
  532   1HD   LYS  71          1HD       LYS  71 120.672  -8.951  -0.918
  533   2HD   LYS  71          2HD       LYS  71 121.803  -8.954   0.436
  534   1HE   LYS  71          1HE       LYS  71 118.952  -8.879   1.168
  535   2HE   LYS  71          2HE       LYS  71 119.488 -10.358   0.374
  536   1HZ   LYS  71          1HZ       LYS  71 121.439  -9.961   2.173
  537   2HZ   LYS  71          2HZ       LYS  71 120.089 -10.946   2.435
  538   3HZ   LYS  71          3HZ       LYS  71 120.101  -9.357   3.013
  539    H    LYS  72           H        LYS  72 119.598  -4.392   3.724
  540    HA   LYS  72           HA       LYS  72 119.439  -5.917   6.200
  541   1HB   LYS  72          1HB       LYS  72 121.419  -4.570   6.016
  542   2HB   LYS  72          2HB       LYS  72 120.477  -3.151   5.580
  543   1HG   LYS  72          1HG       LYS  72 119.773  -4.330   8.170
  544   2HG   LYS  72          2HG       LYS  72 121.419  -3.690   8.066
  545   1HD   LYS  72          1HD       LYS  72 120.709  -1.558   7.977
  546   2HD   LYS  72          2HD       LYS  72 119.361  -1.948   6.907
  547   1HE   LYS  72          1HE       LYS  72 118.287  -1.272   8.845
  548   2HE   LYS  72          2HE       LYS  72 118.316  -3.027   9.014
  549   1HZ   LYS  72          1HZ       LYS  72 119.136  -1.337  10.905
  550   2HZ   LYS  72          2HZ       LYS  72 120.604  -1.630  10.120
  551   3HZ   LYS  72          3HZ       LYS  72 119.713  -2.920  10.752
  552    H    ALA  73           H        ALA  73 117.755  -3.643   4.302
  553    HA   ALA  73           HA       ALA  73 116.077  -2.611   6.399
  554   1HB   ALA  73          1HB       ALA  73 116.362  -2.241   3.471
  555   2HB   ALA  73          2HB       ALA  73 116.311  -1.038   4.760
  556   3HB   ALA  73          3HB       ALA  73 114.821  -1.810   4.213
  557    H    GLU  74           H        GLU  74 116.213  -5.584   5.099
  558    HA   GLU  74           HA       GLU  74 114.773  -7.344   5.096
  559   1HB   GLU  74          1HB       GLU  74 112.716  -5.396   6.151
  560   2HB   GLU  74          2HB       GLU  74 112.590  -7.144   6.170
  561   1HG   GLU  74          1HG       GLU  74 114.903  -6.848   7.493
  562   2HG   GLU  74          2HG       GLU  74 114.109  -5.335   7.926
  563    H    LEU  75           H        LEU  75 114.806  -4.967   3.010
  564    HA   LEU  75           HA       LEU  75 112.700  -6.164   1.394
  565   1HB   LEU  75          1HB       LEU  75 112.679  -3.553   0.525
  566   2HB   LEU  75          2HB       LEU  75 111.441  -4.347   1.489
  567    HG   LEU  75           HG       LEU  75 113.202  -3.492   3.388
  568   1HD1  LEU  75          1HD1      LEU  75 113.532  -1.058   2.803
  569   2HD1  LEU  75          2HD1      LEU  75 113.210  -1.518   1.127
  570   3HD1  LEU  75          3HD1      LEU  75 114.593  -2.205   1.980
  571   1HD2  LEU  75          1HD2      LEU  75 110.990  -3.143   3.844
  572   2HD2  LEU  75          2HD2      LEU  75 110.655  -2.469   2.250
  573   3HD2  LEU  75          3HD2      LEU  75 111.488  -1.495   3.463
  574    H    PHE  76           H        PHE  76 114.699  -7.281   0.647
  575    HA   PHE  76           HA       PHE  76 115.870  -5.752  -1.580
  576   1HB   PHE  76          1HB       PHE  76 117.851  -6.139  -0.567
  577   2HB   PHE  76          2HB       PHE  76 117.177  -7.389   0.481
  578    HD1  PHE  76           HD1      PHE  76 117.004  -9.720  -0.358
  579    HD2  PHE  76           HD2      PHE  76 119.030  -6.681  -2.542
  580    HE1  PHE  76           HE1      PHE  76 118.140 -11.444  -1.696
  581    HE2  PHE  76           HE2      PHE  76 120.169  -8.400  -3.884
  582    HZ   PHE  76           HZ       PHE  76 119.725 -10.785  -3.462
  Start of MODEL   13
    1    HT1  PRO   9           HT1      PRO   9 105.086  13.525 -11.061
    2    HT2  PRO   9           HT2      PRO   9 106.209  12.387 -10.668
    3    HA   PRO   9           HA       PRO   9 103.450  12.350 -10.550
    4   1HB   PRO   9          1HB       PRO   9 104.071   9.646 -11.090
    5   2HB   PRO   9          2HB       PRO   9 103.023  10.714 -12.031
    6   1HG   PRO   9          1HG       PRO   9 105.889  10.040 -12.434
    7   2HG   PRO   9          2HG       PRO   9 104.639  10.411 -13.635
    8   1HD   PRO   9          1HD       PRO   9 106.525  12.199 -13.047
    9   2HD   PRO   9          2HD       PRO   9 104.851  12.715 -13.325
   10    H    GLY  10           H        GLY  10 103.201  12.114  -8.425
   11   1HA   GLY  10          1HA       GLY  10 105.360  10.948  -6.845
   12   2HA   GLY  10          2HA       GLY  10 103.978  11.834  -6.221
   13    H    LEU  11           H        LEU  11 104.981   9.440  -5.176
   14    HA   LEU  11           HA       LEU  11 102.791   7.580  -5.798
   15   1HB   LEU  11          1HB       LEU  11 104.312   5.807  -4.948
   16   2HB   LEU  11          2HB       LEU  11 104.822   6.559  -6.445
   17    HG   LEU  11           HG       LEU  11 106.099   8.037  -4.451
   18   1HD1  LEU  11          1HD1      LEU  11 106.828   5.234  -3.847
   19   2HD1  LEU  11          2HD1      LEU  11 105.354   5.862  -3.108
   20   3HD1  LEU  11          3HD1      LEU  11 106.895   6.672  -2.828
   21   1HD2  LEU  11          1HD2      LEU  11 107.452   5.754  -5.809
   22   2HD2  LEU  11          2HD2      LEU  11 108.013   7.408  -5.555
   23   3HD2  LEU  11          3HD2      LEU  11 106.789   7.070  -6.779
   24    H    GLN  12           H        GLN  12 102.167   6.168  -3.957
   25    HA   GLN  12           HA       GLN  12 101.649   7.792  -1.646
   26   1HB   GLN  12          1HB       GLN  12 100.758   5.332  -0.896
   27   2HB   GLN  12          2HB       GLN  12  99.810   6.496  -1.805
   28   1HG   GLN  12          1HG       GLN  12  99.664   4.266  -2.763
   29   2HG   GLN  12          2HG       GLN  12 100.414   5.399  -3.884
   30   1HE2  GLN  12          1HE2      GLN  12 101.415   3.763  -5.036
   31   2HE2  GLN  12          2HE2      GLN  12 102.764   2.882  -4.415
   32    H    ILE  13           H        ILE  13 102.316   7.449   0.473
   33    HA   ILE  13           HA       ILE  13 104.698   5.747   0.756
   34    HB   ILE  13           HB       ILE  13 104.144   8.203   2.400
   35   1HG1  ILE  13          1HG1      ILE  13 104.337   8.673  -0.102
   36   2HG1  ILE  13          2HG1      ILE  13 105.480   9.513   0.945
   37   1HG2  ILE  13          1HG2      ILE  13 106.604   6.545   1.884
   38   2HG2  ILE  13          2HG2      ILE  13 105.696   6.671   3.393
   39   3HG2  ILE  13          3HG2      ILE  13 106.592   8.064   2.783
   40   1HD1  ILE  13          1HD1      ILE  13 106.030   7.086  -0.742
   41   2HD1  ILE  13          2HD1      ILE  13 107.176   7.810   0.387
   42   3HD1  ILE  13          3HD1      ILE  13 106.616   8.727  -1.013
   43    H    TYR  14           H        TYR  14 104.243   4.005   1.931
   44    HA   TYR  14           HA       TYR  14 102.379   4.274   4.200
   45   1HB   TYR  14          1HB       TYR  14 103.050   1.746   2.680
   46   2HB   TYR  14          2HB       TYR  14 101.803   1.945   3.908
   47    HD1  TYR  14           HD1      TYR  14 100.004   3.804   3.348
   48    HD2  TYR  14           HD2      TYR  14 102.425   1.829   0.460
   49    HE1  TYR  14           HE1      TYR  14  98.362   4.356   1.603
   50    HE2  TYR  14           HE2      TYR  14 100.790   2.375  -1.293
   51    HH   TYR  14           HH       TYR  14  98.006   2.940  -1.101
   52    HA   PRO  15           HA       PRO  15 105.259   3.038   7.305
   53   1HB   PRO  15          1HB       PRO  15 103.853   0.405   7.518
   54   2HB   PRO  15          2HB       PRO  15 104.323   1.537   8.797
   55   1HG   PRO  15          1HG       PRO  15 101.796   1.402   7.992
   56   2HG   PRO  15          2HG       PRO  15 102.543   2.969   8.363
   57   1HD   PRO  15          1HD       PRO  15 101.902   1.749   5.720
   58   2HD   PRO  15          2HD       PRO  15 101.869   3.455   6.214
   59    H    TYR  16           H        TYR  16 106.887   1.300   7.888
   60    HA   TYR  16           HA       TYR  16 108.068   0.327   5.442
   61   1HB   TYR  16          1HB       TYR  16 109.683   1.270   6.804
   62   2HB   TYR  16          2HB       TYR  16 108.968   0.623   8.279
   63    HD1  TYR  16           HD1      TYR  16 109.547  -1.529   9.089
   64    HD2  TYR  16           HD2      TYR  16 111.073  -0.171   5.363
   65    HE1  TYR  16           HE1      TYR  16 111.153  -3.397   9.075
   66    HE2  TYR  16           HE2      TYR  16 112.683  -2.027   5.322
   67    HH   TYR  16           HH       TYR  16 113.519  -3.773   7.941
   68    H    GLU  17           H        GLU  17 107.426  -1.214   8.609
   69    HA   GLU  17           HA       GLU  17 107.878  -3.830   7.984
   70   1HB   GLU  17          1HB       GLU  17 106.363  -2.409   9.992
   71   2HB   GLU  17          2HB       GLU  17 105.544  -3.901   9.553
   72   1HG   GLU  17          1HG       GLU  17 107.521  -5.186  10.068
   73   2HG   GLU  17          2HG       GLU  17 108.426  -3.707  10.401
   74    H    MET  18           H        MET  18 104.822  -2.082   7.438
   75    HA   MET  18           HA       MET  18 103.478  -4.299   6.286
   76   1HB   MET  18          1HB       MET  18 102.933  -1.491   6.777
   77   2HB   MET  18          2HB       MET  18 102.333  -1.988   5.202
   78   1HG   MET  18          1HG       MET  18 101.423  -4.027   6.666
   79   2HG   MET  18          2HG       MET  18 101.452  -2.772   7.907
   80   1HE   MET  18          1HE       MET  18  98.722  -4.371   5.905
   81   2HE   MET  18          2HE       MET  18 100.091  -4.208   4.806
   82   3HE   MET  18          3HE       MET  18  98.590  -3.340   4.480
   83    H    LEU  19           H        LEU  19 105.659  -1.886   5.087
   84    HA   LEU  19           HA       LEU  19 105.170  -2.568   2.308
   85   1HB   LEU  19          1HB       LEU  19 106.786  -0.505   3.738
   86   2HB   LEU  19          2HB       LEU  19 107.119  -0.860   2.050
   87    HG   LEU  19           HG       LEU  19 104.469   0.073   3.153
   88   1HD1  LEU  19          1HD1      LEU  19 106.264   1.619   1.325
   89   2HD1  LEU  19          2HD1      LEU  19 106.479   1.684   3.075
   90   3HD1  LEU  19          3HD1      LEU  19 104.952   2.196   2.354
   91   1HD2  LEU  19          1HD2      LEU  19 104.059  -1.282   1.262
   92   2HD2  LEU  19          2HD2      LEU  19 105.421  -0.588   0.382
   93   3HD2  LEU  19          3HD2      LEU  19 103.986   0.389   0.701
   94    H    VAL  20           H        VAL  20 106.756  -4.184   4.595
   95    HA   VAL  20           HA       VAL  20 109.361  -4.493   3.513
   96    HB   VAL  20           HB       VAL  20 107.851  -6.535   5.148
   97   1HG1  VAL  20          1HG1      VAL  20 110.362  -6.744   5.967
   98   2HG1  VAL  20          2HG1      VAL  20 110.670  -6.161   4.331
   99   3HG1  VAL  20          3HG1      VAL  20 109.753  -7.649   4.579
  100   1HG2  VAL  20          1HG2      VAL  20 108.075  -4.079   6.015
  101   2HG2  VAL  20          2HG2      VAL  20 109.728  -4.578   6.358
  102   3HG2  VAL  20          3HG2      VAL  20 108.375  -5.448   7.082
  103    H    VAL  21           H        VAL  21 110.192  -6.418   2.372
  104    HA   VAL  21           HA       VAL  21 108.353  -7.146   0.256
  105    HB   VAL  21           HB       VAL  21 111.263  -7.876   0.587
  106   1HG1  VAL  21          1HG1      VAL  21 110.555  -9.378  -0.985
  107   2HG1  VAL  21          2HG1      VAL  21 110.933  -8.001  -2.020
  108   3HG1  VAL  21          3HG1      VAL  21 109.261  -8.329  -1.568
  109   1HG2  VAL  21          1HG2      VAL  21 110.130  -5.721  -1.174
  110   2HG2  VAL  21          2HG2      VAL  21 111.816  -6.021  -0.758
  111   3HG2  VAL  21          3HG2      VAL  21 110.703  -5.410   0.465
  112    H    THR  22           H        THR  22 110.701  -9.140   2.077
  113    HA   THR  22           HA       THR  22 108.846 -11.395   1.773
  114    HB   THR  22           HB       THR  22 111.818 -11.321   2.279
  115    HG1  THR  22           HG1      THR  22 111.987 -11.914   0.220
  116   1HG2  THR  22          1HG2      THR  22 110.830 -13.257   3.425
  117   2HG2  THR  22          2HG2      THR  22 111.844 -13.721   2.058
  118   3HG2  THR  22          3HG2      THR  22 110.088 -13.754   1.905
  119    H    ASN  23           H        ASN  23 111.301 -10.438   4.126
  120    HA   ASN  23           HA       ASN  23 110.814 -11.854   6.283
  121   1HB   ASN  23          1HB       ASN  23 111.107  -8.849   6.375
  122   2HB   ASN  23          2HB       ASN  23 111.475  -9.969   7.688
  123   1HD2  ASN  23          1HD2      ASN  23 112.426  -8.860   4.511
  124   2HD2  ASN  23          2HD2      ASN  23 114.036  -9.487   4.565
  125    H    LYS  24           H        LYS  24 108.688  -9.116   5.414
  126    HA   LYS  24           HA       LYS  24 106.832 -10.089   7.489
  127   1HB   LYS  24          1HB       LYS  24 107.695  -7.379   6.739
  128   2HB   LYS  24          2HB       LYS  24 105.966  -7.556   7.014
  129   1HG   LYS  24          1HG       LYS  24 107.166  -6.854   9.028
  130   2HG   LYS  24          2HG       LYS  24 106.374  -8.417   9.235
  131   1HD   LYS  24          1HD       LYS  24 108.581  -8.505  10.205
  132   2HD   LYS  24          2HD       LYS  24 108.535  -9.528   8.770
  133   1HE   LYS  24          1HE       LYS  24 110.509  -8.419   8.424
  134   2HE   LYS  24          2HE       LYS  24 109.394  -7.346   7.583
  135   1HZ   LYS  24          1HZ       LYS  24 109.657  -5.730   9.109
  136   2HZ   LYS  24          2HZ       LYS  24 111.132  -6.507   9.399
  137   3HZ   LYS  24          3HZ       LYS  24 109.808  -6.804  10.408
  138    H    GLY  25           H        GLY  25 106.987 -10.953   4.634
  139   1HA   GLY  25          1HA       GLY  25 104.569 -11.614   3.921
  140   2HA   GLY  25          2HA       GLY  25 104.439  -9.891   3.620
  141    H    ARG  26           H        ARG  26 104.142  -9.966   1.461
  142    HA   ARG  26           HA       ARG  26 106.463 -10.759  -0.130
  143   1HB   ARG  26          1HB       ARG  26 103.634 -11.456  -0.909
  144   2HB   ARG  26          2HB       ARG  26 105.109 -11.915  -1.733
  145   1HG   ARG  26          1HG       ARG  26 104.651 -13.846  -0.660
  146   2HG   ARG  26          2HG       ARG  26 105.648 -13.058   0.565
  147   1HD   ARG  26          1HD       ARG  26 103.485 -12.165   1.543
  148   2HD   ARG  26          2HD       ARG  26 102.648 -13.282   0.467
  149    HE   ARG  26           HE       ARG  26 104.586 -14.694   1.930
  150   1HH1  ARG  26          1HH1      ARG  26 101.534 -13.066   2.398
  151   2HH1  ARG  26          2HH1      ARG  26 101.069 -14.056   3.740
  152   1HH2  ARG  26          1HH2      ARG  26 103.976 -15.997   3.695
  153   2HH2  ARG  26          2HH2      ARG  26 102.456 -15.720   4.478
  154    H    THR  27           H        THR  27 104.314 -10.278  -2.408
  155    HA   THR  27           HA       THR  27 104.942  -7.461  -2.701
  156    HB   THR  27           HB       THR  27 105.005  -9.518  -4.413
  157    HG1  THR  27           HG1      THR  27 104.567  -6.779  -4.945
  158   1HG2  THR  27          1HG2      THR  27 102.566  -9.752  -4.450
  159   2HG2  THR  27          2HG2      THR  27 103.258  -9.382  -6.031
  160   3HG2  THR  27          3HG2      THR  27 102.452  -8.116  -5.104
  161    H    LYS  28           H        LYS  28 102.684  -8.974  -1.128
  162    HA   LYS  28           HA       LYS  28 100.270  -7.793  -2.122
  163   1HB   LYS  28          1HB       LYS  28 100.956  -9.311   0.366
  164   2HB   LYS  28          2HB       LYS  28  99.324  -8.750   0.011
  165   1HG   LYS  28          1HG       LYS  28  99.771 -11.146  -0.566
  166   2HG   LYS  28          2HG       LYS  28  99.161 -10.160  -1.895
  167   1HD   LYS  28          1HD       LYS  28 101.315 -10.024  -2.898
  168   2HD   LYS  28          2HD       LYS  28 102.095 -10.685  -1.464
  169   1HE   LYS  28          1HE       LYS  28 101.953 -12.362  -3.224
  170   2HE   LYS  28          2HE       LYS  28 100.980 -12.827  -1.829
  171   1HZ   LYS  28          1HZ       LYS  28 100.087 -11.890  -4.478
  172   2HZ   LYS  28          2HZ       LYS  28  99.079 -11.716  -3.130
  173   3HZ   LYS  28          3HZ       LYS  28  99.593 -13.255  -3.607
  174    H    LEU  29           H        LEU  29 102.346  -5.936  -1.406
  175    HA   LEU  29           HA       LEU  29 101.957  -4.658   1.059
  176   1HB   LEU  29          1HB       LEU  29 102.427  -2.814  -1.147
  177   2HB   LEU  29          2HB       LEU  29 103.358  -3.047   0.313
  178    HG   LEU  29           HG       LEU  29 103.657  -4.372  -2.365
  179   1HD1  LEU  29          1HD1      LEU  29 105.287  -2.912  -2.498
  180   2HD1  LEU  29          2HD1      LEU  29 106.110  -3.803  -1.224
  181   3HD1  LEU  29          3HD1      LEU  29 105.089  -2.427  -0.815
  182   1HD2  LEU  29          1HD2      LEU  29 103.914  -5.664   0.168
  183   2HD2  LEU  29          2HD2      LEU  29 105.516  -5.457  -0.536
  184   3HD2  LEU  29          3HD2      LEU  29 104.261  -6.301  -1.434
  185    HA   PRO  30           HA       PRO  30  98.206  -2.293   0.962
  186   1HB   PRO  30          1HB       PRO  30  99.830   0.176   0.478
  187   2HB   PRO  30          2HB       PRO  30  98.545  -0.106   1.661
  188   1HG   PRO  30          1HG       PRO  30 101.106  -0.108   2.403
  189   2HG   PRO  30          2HG       PRO  30  99.943  -1.245   3.114
  190   1HD   PRO  30          1HD       PRO  30 102.110  -1.733   1.136
  191   2HD   PRO  30          2HD       PRO  30 101.425  -2.824   2.361
  192    HA   PRO  31           HA       PRO  31  96.983  -1.586  -3.216
  193   1HB   PRO  31          1HB       PRO  31  95.866   0.956  -3.221
  194   2HB   PRO  31          2HB       PRO  31  95.028  -0.532  -2.767
  195   1HG   PRO  31          1HG       PRO  31  96.301   1.537  -1.029
  196   2HG   PRO  31          2HG       PRO  31  94.798   0.629  -0.780
  197   1HD   PRO  31          1HD       PRO  31  97.050  -0.006   0.526
  198   2HD   PRO  31          2HD       PRO  31  95.918  -1.258  -0.027
  199    H    GLY  32           H        GLY  32  98.735  -1.459  -4.535
  200   1HA   GLY  32          1HA       GLY  32  99.773  -0.176  -6.242
  201   2HA   GLY  32          2HA       GLY  32  99.630   1.244  -5.229
  202    H    VAL  33           H        VAL  33 101.076  -1.889  -4.281
  203    HA   VAL  33           HA       VAL  33 103.708  -0.658  -4.434
  204    HB   VAL  33           HB       VAL  33 103.547  -2.137  -2.011
  205   1HG1  VAL  33          1HG1      VAL  33 104.385   0.265  -1.284
  206   2HG1  VAL  33          2HG1      VAL  33 104.642   0.373  -3.023
  207   3HG1  VAL  33          3HG1      VAL  33 105.412  -0.917  -2.098
  208   1HG2  VAL  33          1HG2      VAL  33 102.052  -1.059  -0.728
  209   2HG2  VAL  33          2HG2      VAL  33 101.222  -0.879  -2.272
  210   3HG2  VAL  33          3HG2      VAL  33 102.197   0.445  -1.640
  211    H    ASP  34           H        ASP  34 105.386  -1.879  -4.768
  212    HA   ASP  34           HA       ASP  34 105.150  -4.780  -4.704
  213   1HB   ASP  34          1HB       ASP  34 104.487  -3.969  -7.014
  214   2HB   ASP  34          2HB       ASP  34 106.130  -3.352  -7.184
  215    H    ARG  35           H        ARG  35 107.183  -5.819  -4.518
  216    HA   ARG  35           HA       ARG  35 109.143  -4.415  -3.114
  217   1HB   ARG  35          1HB       ARG  35 110.571  -6.429  -3.490
  218   2HB   ARG  35          2HB       ARG  35 108.968  -6.793  -2.866
  219   1HG   ARG  35          1HG       ARG  35 109.233  -6.829  -5.798
  220   2HG   ARG  35          2HG       ARG  35 110.114  -8.088  -4.923
  221   1HD   ARG  35          1HD       ARG  35 107.743  -8.195  -3.652
  222   2HD   ARG  35          2HD       ARG  35 107.210  -7.669  -5.248
  223    HE   ARG  35           HE       ARG  35 108.245 -10.251  -4.525
  224   1HH1  ARG  35          1HH1      ARG  35 107.778  -7.990  -7.143
  225   2HH1  ARG  35          2HH1      ARG  35 107.819  -9.211  -8.370
  226   1HH2  ARG  35          1HH2      ARG  35 108.299 -11.858  -6.138
  227   2HH2  ARG  35          2HH2      ARG  35 108.114 -11.406  -7.801
  228    H    MET  36           H        MET  36 108.596  -4.527  -6.485
  229    HA   MET  36           HA       MET  36 111.063  -4.374  -7.649
  230   1HB   MET  36          1HB       MET  36 108.393  -3.625  -8.344
  231   2HB   MET  36          2HB       MET  36 109.489  -2.356  -8.875
  232   1HG   MET  36          1HG       MET  36 110.754  -4.701  -9.629
  233   2HG   MET  36          2HG       MET  36 109.045  -5.001  -9.957
  234   1HE   MET  36          1HE       MET  36 111.059  -1.650  -9.996
  235   2HE   MET  36          2HE       MET  36 111.413  -1.448 -11.712
  236   3HE   MET  36          3HE       MET  36 112.180  -2.749 -10.801
  237    H    ARG  37           H        ARG  37 109.339  -1.746  -6.000
  238    HA   ARG  37           HA       ARG  37 111.889  -0.329  -5.752
  239   1HB   ARG  37          1HB       ARG  37 110.395   1.824  -6.145
  240   2HB   ARG  37          2HB       ARG  37 111.177   0.989  -7.474
  241   1HG   ARG  37          1HG       ARG  37 108.580  -0.145  -6.964
  242   2HG   ARG  37          2HG       ARG  37 108.468   1.599  -7.199
  243   1HD   ARG  37          1HD       ARG  37 110.240   0.685  -9.166
  244   2HD   ARG  37          2HD       ARG  37 108.921  -0.484  -9.134
  245    HE   ARG  37           HE       ARG  37 107.722   1.993  -9.132
  246   1HH1  ARG  37          1HH1      ARG  37 109.901   0.249 -11.228
  247   2HH1  ARG  37          2HH1      ARG  37 109.337   1.026 -12.669
  248   1HH2  ARG  37          1HH2      ARG  37 106.978   3.014 -11.027
  249   2HH2  ARG  37          2HH2      ARG  37 107.676   2.596 -12.555
  250    H    LEU  38           H        LEU  38 110.285  -1.854  -3.875
  251    HA   LEU  38           HA       LEU  38 108.663  -0.407  -2.220
  252   1HB   LEU  38          1HB       LEU  38 110.269  -2.810  -2.044
  253   2HB   LEU  38          2HB       LEU  38 110.155  -1.983  -0.495
  254    HG   LEU  38           HG       LEU  38 107.796  -2.795  -2.200
  255   1HD1  LEU  38          1HD1      LEU  38 109.283  -4.128  -0.003
  256   2HD1  LEU  38          2HD1      LEU  38 108.431  -4.823  -1.380
  257   3HD1  LEU  38          3HD1      LEU  38 107.525  -4.242   0.015
  258   1HD2  LEU  38          1HD2      LEU  38 108.137  -1.238   0.302
  259   2HD2  LEU  38          2HD2      LEU  38 106.739  -2.304   0.161
  260   3HD2  LEU  38          3HD2      LEU  38 106.999  -1.023  -1.024
  261    H    GLU  39           H        GLU  39 112.107  -0.116  -2.598
  262    HA   GLU  39           HA       GLU  39 112.492   1.346  -0.160
  263   1HB   GLU  39          1HB       GLU  39 114.740   1.486  -0.709
  264   2HB   GLU  39          2HB       GLU  39 114.249  -0.036  -1.442
  265   1HG   GLU  39          1HG       GLU  39 114.680   2.599  -2.824
  266   2HG   GLU  39          2HG       GLU  39 115.657   1.140  -2.968
  267    H    ARG  40           H        ARG  40 110.666   2.192  -2.590
  268    HA   ARG  40           HA       ARG  40 111.584   4.990  -2.630
  269   1HB   ARG  40          1HB       ARG  40 111.114   3.252  -4.768
  270   2HB   ARG  40          2HB       ARG  40 109.709   4.307  -4.727
  271   1HG   ARG  40          1HG       ARG  40 111.843   6.038  -4.414
  272   2HG   ARG  40          2HG       ARG  40 112.422   4.852  -5.586
  273   1HD   ARG  40          1HD       ARG  40 111.024   5.576  -7.188
  274   2HD   ARG  40          2HD       ARG  40 109.683   5.776  -6.061
  275    HE   ARG  40           HE       ARG  40 111.358   7.829  -5.456
  276   1HH1  ARG  40          1HH1      ARG  40 109.841   6.723  -8.398
  277   2HH1  ARG  40          2HH1      ARG  40 109.750   8.307  -9.093
  278   1HH2  ARG  40          1HH2      ARG  40 111.239   9.911  -6.367
  279   2HH2  ARG  40          2HH2      ARG  40 110.545  10.117  -7.941
  280    H    HIS  41           H        HIS  41 109.196   2.771  -1.753
  281    HA   HIS  41           HA       HIS  41 107.023   4.682  -1.645
  282   1HB   HIS  41          1HB       HIS  41 107.272   1.755  -0.944
  283   2HB   HIS  41          2HB       HIS  41 105.802   2.684  -0.716
  284    HD1  HIS  41           HD1      HIS  41 104.840   3.804  -3.029
  285    HD2  HIS  41           HD2      HIS  41 107.489   0.626  -3.395
  286    HE1  HIS  41           HE1      HIS  41 104.546   2.949  -5.375
  287    HE2  HIS  41           HE2      HIS  41 106.225   1.086  -5.603
  288    H    LEU  42           H        LEU  42 109.649   3.989   0.244
  289    HA   LEU  42           HA       LEU  42 108.378   4.153   2.818
  290   1HB   LEU  42          1HB       LEU  42 111.260   4.166   1.934
  291   2HB   LEU  42          2HB       LEU  42 110.750   4.216   3.618
  292    HG   LEU  42           HG       LEU  42 109.566   2.014   2.089
  293   1HD1  LEU  42          1HD1      LEU  42 111.357   0.981   1.308
  294   2HD1  LEU  42          2HD1      LEU  42 112.263   1.261   2.798
  295   3HD1  LEU  42          3HD1      LEU  42 112.231   2.497   1.532
  296   1HD2  LEU  42          1HD2      LEU  42 111.178   1.995   4.613
  297   2HD2  LEU  42          2HD2      LEU  42 109.973   0.822   4.077
  298   3HD2  LEU  42          3HD2      LEU  42 109.475   2.444   4.555
  299    H    SER  43           H        SER  43 108.369   5.886   4.175
  300    HA   SER  43           HA       SER  43 108.539   8.477   2.965
  301   1HB   SER  43          1HB       SER  43 107.599   9.317   4.965
  302   2HB   SER  43          2HB       SER  43 106.874   7.719   4.766
  303    HG   SER  43           HG       SER  43 107.784   7.123   6.557
  304    H    ALA  44           H        ALA  44 109.742  10.280   4.015
  305    HA   ALA  44           HA       ALA  44 112.470   9.880   3.943
  306   1HB   ALA  44          1HB       ALA  44 110.960  12.030   5.427
  307   2HB   ALA  44          2HB       ALA  44 111.493  12.088   3.747
  308   3HB   ALA  44          3HB       ALA  44 112.683  12.076   5.048
  309    H    GLU  45           H        GLU  45 110.268   9.369   6.570
  310    HA   GLU  45           HA       GLU  45 112.334   9.194   8.582
  311   1HB   GLU  45          1HB       GLU  45 109.817   7.878   9.260
  312   2HB   GLU  45          2HB       GLU  45 110.652   9.182  10.081
  313   1HG   GLU  45          1HG       GLU  45 108.756   9.421   7.764
  314   2HG   GLU  45          2HG       GLU  45 108.470   9.914   9.431
  315    H    ASP  46           H        ASP  46 110.100   6.932   7.018
  316    HA   ASP  46           HA       ASP  46 111.118   4.572   8.073
  317   1HB   ASP  46          1HB       ASP  46 109.899   4.982   5.334
  318   2HB   ASP  46          2HB       ASP  46 110.043   3.443   6.184
  319    H    PHE  47           H        PHE  47 111.942   6.184   4.998
  320    HA   PHE  47           HA       PHE  47 113.866   4.359   4.140
  321   1HB   PHE  47          1HB       PHE  47 112.760   6.406   2.950
  322   2HB   PHE  47          2HB       PHE  47 114.142   7.293   3.596
  323    HD1  PHE  47           HD1      PHE  47 113.365   4.176   1.716
  324    HD2  PHE  47           HD2      PHE  47 116.046   7.418   2.342
  325    HE1  PHE  47           HE1      PHE  47 114.750   3.404  -0.176
  326    HE2  PHE  47           HE2      PHE  47 117.429   6.653   0.456
  327    HZ   PHE  47           HZ       PHE  47 116.775   4.650  -0.809
  328    H    SER  48           H        SER  48 114.393   7.498   5.748
  329    HA   SER  48           HA       SER  48 117.159   7.120   6.130
  330   1HB   SER  48          1HB       SER  48 116.241   9.346   6.170
  331   2HB   SER  48          2HB       SER  48 115.190   8.942   7.527
  332    HG   SER  48           HG       SER  48 116.869   9.883   8.500
  333    H    ARG  49           H        ARG  49 114.519   5.685   7.709
  334    HA   ARG  49           HA       ARG  49 115.955   5.298  10.215
  335   1HB   ARG  49          1HB       ARG  49 113.569   5.813  10.338
  336   2HB   ARG  49          2HB       ARG  49 113.198   4.398   9.362
  337   1HG   ARG  49          1HG       ARG  49 112.743   3.713  11.532
  338   2HG   ARG  49          2HG       ARG  49 114.353   3.060  11.221
  339   1HD   ARG  49          1HD       ARG  49 115.251   5.180  12.302
  340   2HD   ARG  49          2HD       ARG  49 113.597   5.472  12.852
  341    HE   ARG  49           HE       ARG  49 114.084   2.953  13.698
  342   1HH1  ARG  49          1HH1      ARG  49 115.834   5.953  14.046
  343   2HH1  ARG  49          2HH1      ARG  49 116.524   5.518  15.574
  344   1HH2  ARG  49          1HH2      ARG  49 114.990   2.381  15.708
  345   2HH2  ARG  49          2HH2      ARG  49 116.045   3.490  16.516
  346    H    VAL  50           H        VAL  50 114.771   3.427   7.459
  347    HA   VAL  50           HA       VAL  50 115.826   0.953   8.545
  348    HB   VAL  50           HB       VAL  50 114.745   1.377   5.763
  349   1HG1  VAL  50          1HG1      VAL  50 116.052  -0.720   6.468
  350   2HG1  VAL  50          2HG1      VAL  50 114.503  -0.929   5.650
  351   3HG1  VAL  50          3HG1      VAL  50 114.611  -1.126   7.398
  352   1HG2  VAL  50          1HG2      VAL  50 113.037   0.278   7.934
  353   2HG2  VAL  50          2HG2      VAL  50 112.582   1.114   6.448
  354   3HG2  VAL  50          3HG2      VAL  50 113.226   2.027   7.813
  355    H    PHE  51           H        PHE  51 116.722   3.369   6.177
  356    HA   PHE  51           HA       PHE  51 119.037   1.744   5.388
  357   1HB   PHE  51          1HB       PHE  51 117.772   4.142   4.060
  358   2HB   PHE  51          2HB       PHE  51 119.217   3.316   3.479
  359    HD1  PHE  51           HD1      PHE  51 116.007   3.711   2.669
  360    HD2  PHE  51           HD2      PHE  51 118.663   0.544   3.653
  361    HE1  PHE  51           HE1      PHE  51 114.601   2.140   1.386
  362    HE2  PHE  51           HE2      PHE  51 117.271  -1.028   2.369
  363    HZ   PHE  51           HZ       PHE  51 115.244  -0.225   1.232
  364    H    ALA  52           H        ALA  52 118.143   4.908   6.664
  365    HA   ALA  52           HA       ALA  52 119.367   6.243   8.097
  366   1HB   ALA  52          1HB       ALA  52 121.913   4.878   7.310
  367   2HB   ALA  52          2HB       ALA  52 120.815   4.175   8.497
  368   3HB   ALA  52          3HB       ALA  52 121.535   5.757   8.791
  369    H    MET  53           H        MET  53 119.445   6.027   4.840
  370    HA   MET  53           HA       MET  53 121.062   8.481   4.599
  371   1HB   MET  53          1HB       MET  53 122.118   7.745   2.754
  372   2HB   MET  53          2HB       MET  53 121.715   6.158   3.398
  373   1HG   MET  53          1HG       MET  53 120.041   7.647   1.391
  374   2HG   MET  53          2HG       MET  53 121.246   6.427   0.984
  375   1HE   MET  53          1HE       MET  53 121.151   3.972   2.057
  376   2HE   MET  53          2HE       MET  53 120.565   4.214   0.409
  377   3HE   MET  53          3HE       MET  53 119.675   3.170   1.519
  378    H    SER  54           H        SER  54 120.468   9.663   2.515
  379    HA   SER  54           HA       SER  54 117.700  10.400   2.738
  380   1HB   SER  54          1HB       SER  54 120.068  11.376   1.159
  381   2HB   SER  54          2HB       SER  54 118.442  11.968   0.794
  382    HG   SER  54           HG       SER  54 118.323  12.904   2.758
  383    HA   PRO  55           HA       PRO  55 115.922   7.945  -0.498
  384   1HB   PRO  55          1HB       PRO  55 114.664  10.471  -1.444
  385   2HB   PRO  55          2HB       PRO  55 113.908   8.927  -1.035
  386   1HG   PRO  55          1HG       PRO  55 113.721  11.027   0.604
  387   2HG   PRO  55          2HG       PRO  55 113.901   9.378   1.236
  388   1HD   PRO  55          1HD       PRO  55 115.917  11.571   1.052
  389   2HD   PRO  55          2HD       PRO  55 115.718  10.319   2.297
  390    H    GLU  56           H        GLU  56 117.582  10.928  -1.095
  391    HA   GLU  56           HA       GLU  56 117.974  10.336  -3.917
  392   1HB   GLU  56          1HB       GLU  56 117.646  12.607  -3.723
  393   2HB   GLU  56          2HB       GLU  56 118.407  12.692  -2.140
  394   1HG   GLU  56          1HG       GLU  56 120.555  12.763  -3.044
  395   2HG   GLU  56          2HG       GLU  56 120.013  12.166  -4.616
  396    H    GLU  57           H        GLU  57 119.442   9.594  -0.969
  397    HA   GLU  57           HA       GLU  57 122.156   9.617  -1.908
  398   1HB   GLU  57          1HB       GLU  57 120.780   9.072   0.648
  399   2HB   GLU  57          2HB       GLU  57 122.170   8.041   0.343
  400   1HG   GLU  57          1HG       GLU  57 123.513  10.094  -0.077
  401   2HG   GLU  57          2HG       GLU  57 122.118  11.041   0.437
  402    H    PHE  58           H        PHE  58 119.683   7.141  -1.197
  403    HA   PHE  58           HA       PHE  58 121.027   4.807  -1.729
  404   1HB   PHE  58          1HB       PHE  58 118.456   5.422  -1.278
  405   2HB   PHE  58          2HB       PHE  58 118.351   5.144  -3.015
  406    HD1  PHE  58           HD1      PHE  58 118.283   3.664   0.181
  407    HD2  PHE  58           HD2      PHE  58 119.310   2.893  -3.871
  408    HE1  PHE  58           HE1      PHE  58 118.099   1.247   0.602
  409    HE2  PHE  58           HE2      PHE  58 119.119   0.474  -3.461
  410    HZ   PHE  58           HZ       PHE  58 118.517  -0.355  -1.220
  411    H    GLY  59           H        GLY  59 119.319   6.766  -4.191
  412   1HA   GLY  59          1HA       GLY  59 120.156   5.281  -6.414
  413   2HA   GLY  59          2HA       GLY  59 119.653   6.965  -6.454
  414    H    LYS  60           H        LYS  60 121.828   7.662  -4.523
  415    HA   LYS  60           HA       LYS  60 123.940   7.922  -6.521
  416   1HB   LYS  60          1HB       LYS  60 123.129   9.424  -4.090
  417   2HB   LYS  60          2HB       LYS  60 124.844   9.421  -4.492
  418   1HG   LYS  60          1HG       LYS  60 123.900  11.351  -5.480
  419   2HG   LYS  60          2HG       LYS  60 124.209  10.204  -6.788
  420   1HD   LYS  60          1HD       LYS  60 121.591   9.716  -5.799
  421   2HD   LYS  60          2HD       LYS  60 121.758  11.454  -6.053
  422   1HE   LYS  60          1HE       LYS  60 122.899  10.527  -8.312
  423   2HE   LYS  60          2HE       LYS  60 121.735   9.240  -8.002
  424   1HZ   LYS  60          1HZ       LYS  60 120.866  12.048  -7.885
  425   2HZ   LYS  60          2HZ       LYS  60 119.964  10.663  -8.246
  426   3HZ   LYS  60          3HZ       LYS  60 121.041  11.292  -9.389
  427    H    LEU  61           H        LEU  61 123.218   5.683  -4.268
  428    HA   LEU  61           HA       LEU  61 125.775   5.422  -3.008
  429   1HB   LEU  61          1HB       LEU  61 123.308   3.676  -3.055
  430   2HB   LEU  61          2HB       LEU  61 124.722   3.337  -2.084
  431    HG   LEU  61           HG       LEU  61 122.791   5.598  -1.772
  432   1HD1  LEU  61          1HD1      LEU  61 122.168   3.505  -0.749
  433   2HD1  LEU  61          2HD1      LEU  61 122.592   4.694   0.485
  434   3HD1  LEU  61          3HD1      LEU  61 123.731   3.415   0.063
  435   1HD2  LEU  61          1HD2      LEU  61 125.601   5.350  -0.817
  436   2HD2  LEU  61          2HD2      LEU  61 124.399   6.107   0.227
  437   3HD2  LEU  61          3HD2      LEU  61 124.724   6.777  -1.372
  438    H    ALA  62           H        ALA  62 125.514   2.408  -3.317
  439    HA   ALA  62           HA       ALA  62 126.571   2.171  -6.046
  440   1HB   ALA  62          1HB       ALA  62 127.683   0.633  -3.721
  441   2HB   ALA  62          2HB       ALA  62 128.332   2.191  -4.228
  442   3HB   ALA  62          3HB       ALA  62 128.363   0.820  -5.336
  443    H    LEU  63           H        LEU  63 126.703  -0.177  -6.751
  444    HA   LEU  63           HA       LEU  63 124.114  -1.319  -6.599
  445   1HB   LEU  63          1HB       LEU  63 125.823  -1.451  -8.494
  446   2HB   LEU  63          2HB       LEU  63 126.579  -2.736  -7.570
  447    HG   LEU  63           HG       LEU  63 123.748  -3.229  -7.849
  448   1HD1  LEU  63          1HD1      LEU  63 123.687  -3.624 -10.248
  449   2HD1  LEU  63          2HD1      LEU  63 125.304  -2.940 -10.414
  450   3HD1  LEU  63          3HD1      LEU  63 123.963  -1.918  -9.898
  451   1HD2  LEU  63          1HD2      LEU  63 125.938  -4.701  -7.442
  452   2HD2  LEU  63          2HD2      LEU  63 125.782  -4.908  -9.187
  453   3HD2  LEU  63          3HD2      LEU  63 124.451  -5.365  -8.122
  454    H    TRP  64           H        TRP  64 127.056  -1.868  -4.822
  455    HA   TRP  64           HA       TRP  64 126.144  -4.363  -3.697
  456   1HB   TRP  64          1HB       TRP  64 128.279  -4.092  -2.367
  457   2HB   TRP  64          2HB       TRP  64 128.499  -4.154  -4.122
  458    HD1  TRP  64           HD1      TRP  64 129.568  -2.048  -5.249
  459    HE1  TRP  64           HE1      TRP  64 130.429   0.203  -4.361
  460    HE3  TRP  64           HE3      TRP  64 127.689  -2.339  -0.632
  461    HZ2  TRP  64           HZ2      TRP  64 130.312   1.658  -1.895
  462    HZ3  TRP  64           HZ3      TRP  64 128.100  -0.481   0.970
  463    HH2  TRP  64           HH2      TRP  64 129.371   1.470   0.334
  464    H    LYS  65           H        LYS  65 126.389  -0.984  -2.996
  465    HA   LYS  65           HA       LYS  65 125.692  -1.147  -0.229
  466   1HB   LYS  65          1HB       LYS  65 126.740   0.827  -1.682
  467   2HB   LYS  65          2HB       LYS  65 125.044   1.287  -1.823
  468   1HG   LYS  65          1HG       LYS  65 124.822   1.596   0.494
  469   2HG   LYS  65          2HG       LYS  65 126.338   0.750   0.832
  470   1HD   LYS  65          1HD       LYS  65 127.625   2.534  -0.083
  471   2HD   LYS  65          2HD       LYS  65 126.182   3.323  -0.729
  472   1HE   LYS  65          1HE       LYS  65 126.238   4.554   1.139
  473   2HE   LYS  65          2HE       LYS  65 125.591   3.115   1.938
  474   1HZ   LYS  65          1HZ       LYS  65 128.189   2.573   1.991
  475   2HZ   LYS  65          2HZ       LYS  65 127.395   3.409   3.229
  476   3HZ   LYS  65          3HZ       LYS  65 128.260   4.263   2.054
  477    H    ARG  66           H        ARG  66 123.853   0.070  -3.037
  478    HA   ARG  66           HA       ARG  66 121.354   0.309  -1.962
  479   1HB   ARG  66          1HB       ARG  66 122.122  -0.769  -4.678
  480   2HB   ARG  66          2HB       ARG  66 120.490  -0.291  -4.243
  481   1HG   ARG  66          1HG       ARG  66 121.296   1.983  -3.802
  482   2HG   ARG  66          2HG       ARG  66 122.912   1.481  -4.302
  483   1HD   ARG  66          1HD       ARG  66 120.661   0.966  -6.170
  484   2HD   ARG  66          2HD       ARG  66 121.202   2.639  -5.976
  485    HE   ARG  66           HE       ARG  66 123.509   1.314  -6.405
  486   1HH1  ARG  66          1HH1      ARG  66 120.462   1.351  -8.106
  487   2HH1  ARG  66          2HH1      ARG  66 121.178   1.025  -9.649
  488   1HH2  ARG  66          1HH2      ARG  66 124.451   0.885  -8.433
  489   2HH2  ARG  66          2HH2      ARG  66 123.442   0.760  -9.834
  490    H    ASN  67           H        ASN  67 122.886  -2.595  -3.204
  491    HA   ASN  67           HA       ASN  67 120.733  -4.368  -2.849
  492   1HB   ASN  67          1HB       ASN  67 123.637  -4.592  -3.296
  493   2HB   ASN  67          2HB       ASN  67 122.922  -5.966  -2.450
  494   1HD2  ASN  67          1HD2      ASN  67 122.609  -3.946  -5.326
  495   2HD2  ASN  67          2HD2      ASN  67 121.928  -5.173  -6.334
  496    H    GLU  68           H        GLU  68 123.642  -4.212  -0.802
  497    HA   GLU  68           HA       GLU  68 122.832  -5.696   1.317
  498   1HB   GLU  68          1HB       GLU  68 124.478  -3.165   1.393
  499   2HB   GLU  68          2HB       GLU  68 124.361  -4.316   2.717
  500   1HG   GLU  68          1HG       GLU  68 125.568  -5.935   1.592
  501   2HG   GLU  68          2HG       GLU  68 125.242  -5.223   0.012
  502    H    LEU  69           H        LEU  69 122.007  -2.311   0.705
  503    HA   LEU  69           HA       LEU  69 120.771  -1.813   3.189
  504   1HB   LEU  69          1HB       LEU  69 120.003  -0.577   0.556
  505   2HB   LEU  69          2HB       LEU  69 119.767   0.091   2.158
  506    HG   LEU  69           HG       LEU  69 122.508  -0.489   1.242
  507   1HD1  LEU  69          1HD1      LEU  69 121.738   2.234   0.731
  508   2HD1  LEU  69          2HD1      LEU  69 120.803   1.106  -0.247
  509   3HD1  LEU  69          3HD1      LEU  69 122.566   1.086  -0.320
  510   1HD2  LEU  69          1HD2      LEU  69 123.148   0.865   2.939
  511   2HD2  LEU  69          2HD2      LEU  69 121.573   0.397   3.580
  512   3HD2  LEU  69          3HD2      LEU  69 121.763   1.937   2.743
  513    H    LYS  70           H        LYS  70 119.249  -2.366   0.048
  514    HA   LYS  70           HA       LYS  70 116.651  -2.872   1.022
  515   1HB   LYS  70          1HB       LYS  70 118.120  -3.399  -1.513
  516   2HB   LYS  70          2HB       LYS  70 116.631  -4.291  -1.241
  517   1HG   LYS  70          1HG       LYS  70 115.356  -2.293  -1.110
  518   2HG   LYS  70          2HG       LYS  70 116.813  -1.296  -1.051
  519   1HD   LYS  70          1HD       LYS  70 115.867  -1.180  -3.264
  520   2HD   LYS  70          2HD       LYS  70 117.383  -2.082  -3.333
  521   1HE   LYS  70          1HE       LYS  70 115.699  -3.183  -4.683
  522   2HE   LYS  70          2HE       LYS  70 116.112  -4.186  -3.292
  523   1HZ   LYS  70          1HZ       LYS  70 113.718  -4.099  -3.692
  524   2HZ   LYS  70          2HZ       LYS  70 113.730  -2.421  -3.478
  525   3HZ   LYS  70          3HZ       LYS  70 114.114  -3.440  -2.184
  526    H    LYS  71           H        LYS  71 119.514  -4.758   1.000
  527    HA   LYS  71           HA       LYS  71 118.179  -7.301   1.308
  528   1HB   LYS  71          1HB       LYS  71 121.056  -6.399   1.252
  529   2HB   LYS  71          2HB       LYS  71 120.617  -8.050   1.698
  530   1HG   LYS  71          1HG       LYS  71 119.702  -8.480  -0.433
  531   2HG   LYS  71          2HG       LYS  71 119.719  -6.767  -0.862
  532   1HD   LYS  71          1HD       LYS  71 121.546  -7.743  -2.006
  533   2HD   LYS  71          2HD       LYS  71 122.241  -6.878  -0.635
  534   1HE   LYS  71          1HE       LYS  71 121.543  -9.781  -0.411
  535   2HE   LYS  71          2HE       LYS  71 123.056  -9.280  -1.166
  536   1HZ   LYS  71          1HZ       LYS  71 122.258  -9.192   1.623
  537   2HZ   LYS  71          2HZ       LYS  71 123.120  -7.845   1.072
  538   3HZ   LYS  71          3HZ       LYS  71 123.794  -9.390   0.941
  539    H    LYS  72           H        LYS  72 119.611  -4.858   3.331
  540    HA   LYS  72           HA       LYS  72 119.398  -6.556   5.687
  541   1HB   LYS  72          1HB       LYS  72 120.657  -4.879   6.861
  542   2HB   LYS  72          2HB       LYS  72 121.466  -5.194   5.333
  543   1HG   LYS  72          1HG       LYS  72 121.339  -3.058   4.771
  544   2HG   LYS  72          2HG       LYS  72 119.586  -3.063   4.992
  545   1HD   LYS  72          1HD       LYS  72 121.346  -2.937   7.397
  546   2HD   LYS  72          2HD       LYS  72 121.125  -1.481   6.423
  547   1HE   LYS  72          1HE       LYS  72 118.815  -1.432   6.820
  548   2HE   LYS  72          2HE       LYS  72 118.789  -3.103   7.380
  549   1HZ   LYS  72          1HZ       LYS  72 118.624  -1.314   9.134
  550   2HZ   LYS  72          2HZ       LYS  72 120.255  -0.981   8.831
  551   3HZ   LYS  72          3HZ       LYS  72 119.794  -2.508   9.395
  552    H    ALA  73           H        ALA  73 117.827  -4.078   3.981
  553    HA   ALA  73           HA       ALA  73 116.263  -3.054   6.168
  554   1HB   ALA  73          1HB       ALA  73 116.503  -2.544   3.253
  555   2HB   ALA  73          2HB       ALA  73 116.578  -1.413   4.604
  556   3HB   ALA  73          3HB       ALA  73 115.020  -2.045   4.067
  557    H    GLU  74           H        GLU  74 116.188  -5.952   4.706
  558    HA   GLU  74           HA       GLU  74 114.629  -7.610   4.617
  559   1HB   GLU  74          1HB       GLU  74 112.655  -5.649   5.790
  560   2HB   GLU  74          2HB       GLU  74 112.568  -7.402   5.831
  561   1HG   GLU  74          1HG       GLU  74 114.843  -5.950   7.117
  562   2HG   GLU  74          2HG       GLU  74 113.298  -6.140   7.945
  563    H    LEU  75           H        LEU  75 114.802  -5.134   2.683
  564    HA   LEU  75           HA       LEU  75 112.558  -6.033   1.062
  565   1HB   LEU  75          1HB       LEU  75 112.732  -3.367   0.383
  566   2HB   LEU  75          2HB       LEU  75 111.463  -4.121   1.337
  567    HG   LEU  75           HG       LEU  75 113.513  -3.529   3.136
  568   1HD1  LEU  75          1HD1      LEU  75 113.205  -1.414   1.046
  569   2HD1  LEU  75          2HD1      LEU  75 114.675  -2.023   1.809
  570   3HD1  LEU  75          3HD1      LEU  75 113.574  -0.987   2.721
  571   1HD2  LEU  75          1HD2      LEU  75 111.759  -1.586   3.614
  572   2HD2  LEU  75          2HD2      LEU  75 111.430  -3.275   4.001
  573   3HD2  LEU  75          3HD2      LEU  75 110.784  -2.567   2.519
  574    H    PHE  76           H        PHE  76 114.466  -7.249   0.190
  575    HA   PHE  76           HA       PHE  76 115.618  -5.681  -2.020
  576   1HB   PHE  76          1HB       PHE  76 117.601  -6.042  -0.957
  577   2HB   PHE  76          2HB       PHE  76 116.990  -7.437  -0.066
  578    HD1  PHE  76           HD1      PHE  76 117.192  -9.659  -0.967
  579    HD2  PHE  76           HD2      PHE  76 118.525  -6.282  -3.187
  580    HE1  PHE  76           HE1      PHE  76 118.409 -11.151  -2.499
  581    HE2  PHE  76           HE2      PHE  76 119.744  -7.768  -4.722
  582    HZ   PHE  76           HZ       PHE  76 119.687 -10.205  -4.380
  Start of MODEL   14
    1    HT1  PRO   9           HT1      PRO   9 101.702  13.778  -9.464
    2    HT2  PRO   9           HT2      PRO   9 103.028  14.372  -8.692
    3    HA   PRO   9           HA       PRO   9 102.723  12.246 -10.440
    4   1HB   PRO   9          1HB       PRO   9 105.375  13.126 -10.929
    5   2HB   PRO   9          2HB       PRO   9 104.068  12.932 -12.104
    6   1HG   PRO   9          1HG       PRO   9 104.975  15.368 -10.670
    7   2HG   PRO   9          2HG       PRO   9 104.259  15.211 -12.284
    8   1HD   PRO   9          1HD       PRO   9 102.833  16.194 -10.256
    9   2HD   PRO   9          2HD       PRO   9 102.084  15.111 -11.445
   10    H    GLY  10           H        GLY  10 102.936  10.825  -8.811
   11   1HA   GLY  10          1HA       GLY  10 105.444  10.397  -7.575
   12   2HA   GLY  10          2HA       GLY  10 104.362  11.187  -6.440
   13    H    LEU  11           H        LEU  11 105.075   8.977  -5.479
   14    HA   LEU  11           HA       LEU  11 103.013   7.005  -6.192
   15   1HB   LEU  11          1HB       LEU  11 104.740   5.471  -4.890
   16   2HB   LEU  11          2HB       LEU  11 104.830   5.739  -6.620
   17    HG   LEU  11           HG       LEU  11 106.422   7.735  -5.820
   18   1HD1  LEU  11          1HD1      LEU  11 107.330   5.735  -3.856
   19   2HD1  LEU  11          2HD1      LEU  11 105.910   6.677  -3.403
   20   3HD1  LEU  11          3HD1      LEU  11 107.418   7.496  -3.811
   21   1HD2  LEU  11          1HD2      LEU  11 108.147   6.482  -6.643
   22   2HD2  LEU  11          2HD2      LEU  11 106.770   5.559  -7.246
   23   3HD2  LEU  11          3HD2      LEU  11 107.629   5.019  -5.803
   24    H    GLN  12           H        GLN  12 102.347   5.599  -4.368
   25    HA   GLN  12           HA       GLN  12 101.623   7.229  -2.117
   26   1HB   GLN  12          1HB       GLN  12 100.688   4.870  -1.346
   27   2HB   GLN  12          2HB       GLN  12  99.869   5.831  -2.568
   28   1HG   GLN  12          1HG       GLN  12 101.912   3.896  -3.499
   29   2HG   GLN  12          2HG       GLN  12 100.393   3.249  -2.885
   30   1HE2  GLN  12          1HE2      GLN  12 101.023   2.789  -5.454
   31   2HE2  GLN  12          2HE2      GLN  12 100.023   3.724  -6.507
   32    H    ILE  13           H        ILE  13 102.253   7.022   0.016
   33    HA   ILE  13           HA       ILE  13 104.592   5.296   0.488
   34    HB   ILE  13           HB       ILE  13 104.064   7.987   1.751
   35   1HG1  ILE  13          1HG1      ILE  13 105.628   7.138  -0.657
   36   2HG1  ILE  13          2HG1      ILE  13 104.631   8.572  -0.421
   37   1HG2  ILE  13          1HG2      ILE  13 105.363   6.253   3.056
   38   2HG2  ILE  13          2HG2      ILE  13 106.180   7.792   2.776
   39   3HG2  ILE  13          3HG2      ILE  13 106.603   6.380   1.808
   40   1HD1  ILE  13          1HD1      ILE  13 106.606   9.047   1.354
   41   2HD1  ILE  13          2HD1      ILE  13 106.617   9.605  -0.320
   42   3HD1  ILE  13          3HD1      ILE  13 107.480   8.131   0.126
   43    H    TYR  14           H        TYR  14 104.206   3.744   1.882
   44    HA   TYR  14           HA       TYR  14 102.281   4.203   4.072
   45   1HB   TYR  14          1HB       TYR  14 102.929   1.508   2.872
   46   2HB   TYR  14          2HB       TYR  14 101.592   1.926   3.938
   47    HD1  TYR  14           HD1      TYR  14  99.591   2.947   3.088
   48    HD2  TYR  14           HD2      TYR  14 102.857   2.102   0.495
   49    HE1  TYR  14           HE1      TYR  14  98.127   3.297   1.145
   50    HE2  TYR  14           HE2      TYR  14 101.403   2.449  -1.455
   51    HH   TYR  14           HH       TYR  14  98.464   3.962  -1.315
   52    HA   PRO  15           HA       PRO  15 105.123   3.050   7.265
   53   1HB   PRO  15          1HB       PRO  15 103.820   0.370   7.530
   54   2HB   PRO  15          2HB       PRO  15 104.222   1.556   8.782
   55   1HG   PRO  15          1HG       PRO  15 101.715   1.293   7.954
   56   2HG   PRO  15          2HG       PRO  15 102.391   2.901   8.279
   57   1HD   PRO  15          1HD       PRO  15 101.859   1.557   5.670
   58   2HD   PRO  15          2HD       PRO  15 101.709   3.273   6.106
   59    H    TYR  16           H        TYR  16 106.837   1.427   7.873
   60    HA   TYR  16           HA       TYR  16 108.040   0.421   5.452
   61   1HB   TYR  16          1HB       TYR  16 109.616   1.494   6.751
   62   2HB   TYR  16          2HB       TYR  16 108.932   0.899   8.261
   63    HD1  TYR  16           HD1      TYR  16 110.791  -0.248   5.244
   64    HD2  TYR  16           HD2      TYR  16 109.917  -0.866   9.353
   65    HE1  TYR  16           HE1      TYR  16 112.519  -1.994   5.325
   66    HE2  TYR  16           HE2      TYR  16 111.645  -2.618   9.467
   67    HH   TYR  16           HH       TYR  16 113.039  -4.005   6.750
   68    H    GLU  17           H        GLU  17 107.536  -1.042   8.683
   69    HA   GLU  17           HA       GLU  17 108.083  -3.658   8.108
   70   1HB   GLU  17          1HB       GLU  17 106.305  -2.301  10.051
   71   2HB   GLU  17          2HB       GLU  17 106.015  -4.017   9.807
   72   1HG   GLU  17          1HG       GLU  17 108.820  -3.578  10.094
   73   2HG   GLU  17          2HG       GLU  17 107.966  -2.783  11.420
   74    H    MET  18           H        MET  18 104.972  -2.016   7.581
   75    HA   MET  18           HA       MET  18 103.644  -4.329   6.594
   76   1HB   MET  18          1HB       MET  18 103.080  -1.382   6.510
   77   2HB   MET  18          2HB       MET  18 102.099  -2.496   5.566
   78   1HG   MET  18          1HG       MET  18 102.534  -2.896   8.502
   79   2HG   MET  18          2HG       MET  18 101.273  -1.823   7.886
   80   1HE   MET  18          1HE       MET  18 101.546  -6.146   8.403
   81   2HE   MET  18          2HE       MET  18 100.516  -5.241   9.511
   82   3HE   MET  18          3HE       MET  18 102.187  -4.740   9.252
   83    H    LEU  19           H        LEU  19 105.711  -1.922   5.198
   84    HA   LEU  19           HA       LEU  19 105.113  -2.729   2.470
   85   1HB   LEU  19          1HB       LEU  19 106.800  -0.598   3.725
   86   2HB   LEU  19          2HB       LEU  19 106.976  -0.994   2.024
   87    HG   LEU  19           HG       LEU  19 104.433  -0.048   3.344
   88   1HD1  LEU  19          1HD1      LEU  19 106.051   1.480   1.345
   89   2HD1  LEU  19          2HD1      LEU  19 106.418   1.572   3.067
   90   3HD1  LEU  19          3HD1      LEU  19 104.831   2.062   2.476
   91   1HD2  LEU  19          1HD2      LEU  19 103.365  -0.654   1.503
   92   2HD2  LEU  19          2HD2      LEU  19 104.831  -1.475   0.967
   93   3HD2  LEU  19          3HD2      LEU  19 104.531   0.198   0.493
   94    H    VAL  20           H        VAL  20 106.824  -4.208   4.757
   95    HA   VAL  20           HA       VAL  20 109.385  -4.517   3.570
   96    HB   VAL  20           HB       VAL  20 108.022  -6.488   5.410
   97   1HG1  VAL  20          1HG1      VAL  20 110.403  -6.840   6.142
   98   2HG1  VAL  20          2HG1      VAL  20 110.889  -5.903   4.729
   99   3HG1  VAL  20          3HG1      VAL  20 110.014  -7.424   4.522
  100   1HG2  VAL  20          1HG2      VAL  20 108.167  -3.987   6.116
  101   2HG2  VAL  20          2HG2      VAL  20 109.867  -4.367   6.378
  102   3HG2  VAL  20          3HG2      VAL  20 108.619  -5.262   7.244
  103    H    VAL  21           H        VAL  21 110.207  -6.236   2.307
  104    HA   VAL  21           HA       VAL  21 108.356  -7.206   0.367
  105    HB   VAL  21           HB       VAL  21 111.258  -7.947   0.735
  106   1HG1  VAL  21          1HG1      VAL  21 110.535  -9.526  -0.751
  107   2HG1  VAL  21          2HG1      VAL  21 110.920  -8.212  -1.863
  108   3HG1  VAL  21          3HG1      VAL  21 109.247  -8.502  -1.387
  109   1HG2  VAL  21          1HG2      VAL  21 110.144  -5.884  -1.144
  110   2HG2  VAL  21          2HG2      VAL  21 111.829  -6.182  -0.719
  111   3HG2  VAL  21          3HG2      VAL  21 110.730  -5.487   0.472
  112    H    THR  22           H        THR  22 110.695  -9.119   2.281
  113    HA   THR  22           HA       THR  22 108.817 -11.370   2.114
  114    HB   THR  22           HB       THR  22 111.794 -11.298   2.605
  115    HG1  THR  22           HG1      THR  22 111.844 -12.336   0.592
  116   1HG2  THR  22          1HG2      THR  22 111.298 -13.875   2.043
  117   2HG2  THR  22          2HG2      THR  22 109.859 -13.479   2.984
  118   3HG2  THR  22          3HG2      THR  22 111.461 -13.240   3.681
  119    H    ASN  23           H        ASN  23 111.346 -10.434   4.384
  120    HA   ASN  23           HA       ASN  23 110.860 -11.674   6.620
  121   1HB   ASN  23          1HB       ASN  23 111.193  -8.674   6.518
  122   2HB   ASN  23          2HB       ASN  23 111.528  -9.697   7.914
  123   1HD2  ASN  23          1HD2      ASN  23 112.521  -8.876   4.658
  124   2HD2  ASN  23          2HD2      ASN  23 114.121  -9.516   4.779
  125    H    LYS  24           H        LYS  24 108.840  -8.829   5.786
  126    HA   LYS  24           HA       LYS  24 106.921  -9.802   7.801
  127   1HB   LYS  24          1HB       LYS  24 107.947  -7.112   7.198
  128   2HB   LYS  24          2HB       LYS  24 106.207  -7.201   7.464
  129   1HG   LYS  24          1HG       LYS  24 107.395  -6.688   9.521
  130   2HG   LYS  24          2HG       LYS  24 106.581  -8.249   9.629
  131   1HD   LYS  24          1HD       LYS  24 108.876  -8.264  10.575
  132   2HD   LYS  24          2HD       LYS  24 108.652  -9.416   9.258
  133   1HE   LYS  24          1HE       LYS  24 110.785  -8.247   9.054
  134   2HE   LYS  24          2HE       LYS  24 109.717  -7.860   7.707
  135   1HZ   LYS  24          1HZ       LYS  24 109.083  -5.833   9.094
  136   2HZ   LYS  24          2HZ       LYS  24 110.600  -5.825   8.349
  137   3HZ   LYS  24          3HZ       LYS  24 110.473  -6.162  10.001
  138    H    GLY  25           H        GLY  25 107.032 -10.518   4.898
  139   1HA   GLY  25          1HA       GLY  25 104.436 -10.826   4.278
  140   2HA   GLY  25          2HA       GLY  25 104.714  -9.165   3.784
  141    H    ARG  26           H        ARG  26 104.243  -9.674   1.636
  142    HA   ARG  26           HA       ARG  26 106.487 -10.875   0.199
  143   1HB   ARG  26          1HB       ARG  26 104.693 -11.968  -1.330
  144   2HB   ARG  26          2HB       ARG  26 105.103 -12.745   0.187
  145   1HG   ARG  26          1HG       ARG  26 102.921 -10.846   0.460
  146   2HG   ARG  26          2HG       ARG  26 102.575 -12.137  -0.691
  147   1HD   ARG  26          1HD       ARG  26 103.595 -12.583   2.109
  148   2HD   ARG  26          2HD       ARG  26 101.895 -12.656   1.647
  149    HE   ARG  26           HE       ARG  26 103.050 -14.403  -0.051
  150   1HH1  ARG  26          1HH1      ARG  26 103.204 -14.031   3.415
  151   2HH1  ARG  26          2HH1      ARG  26 103.459 -15.717   3.711
  152   1HH2  ARG  26          1HH2      ARG  26 103.385 -16.622   0.335
  153   2HH2  ARG  26          2HH2      ARG  26 103.563 -17.188   1.962
  154    H    THR  27           H        THR  27 104.737 -10.684  -2.312
  155    HA   THR  27           HA       THR  27 105.336  -7.911  -2.849
  156    HB   THR  27           HB       THR  27 104.815 -10.356  -4.400
  157    HG1  THR  27           HG1      THR  27 106.337  -8.055  -5.021
  158   1HG2  THR  27          1HG2      THR  27 102.992  -9.033  -5.304
  159   2HG2  THR  27          2HG2      THR  27 104.291  -9.220  -6.482
  160   3HG2  THR  27          3HG2      THR  27 104.101  -7.696  -5.612
  161    H    LYS  28           H        LYS  28 102.892  -9.173  -1.284
  162    HA   LYS  28           HA       LYS  28 100.695  -7.887  -2.665
  163   1HB   LYS  28          1HB       LYS  28 100.904  -9.584  -0.215
  164   2HB   LYS  28          2HB       LYS  28  99.381  -8.885  -0.755
  165   1HG   LYS  28          1HG       LYS  28  99.790 -11.290  -1.407
  166   2HG   LYS  28          2HG       LYS  28  99.359 -10.194  -2.720
  167   1HD   LYS  28          1HD       LYS  28 101.576 -10.128  -3.529
  168   2HD   LYS  28          2HD       LYS  28 102.221 -10.841  -2.051
  169   1HE   LYS  28          1HE       LYS  28 102.211 -12.746  -3.243
  170   2HE   LYS  28          2HE       LYS  28 100.495 -12.774  -2.837
  171   1HZ   LYS  28          1HZ       LYS  28  99.901 -12.281  -4.936
  172   2HZ   LYS  28          2HZ       LYS  28 101.417 -12.924  -5.323
  173   3HZ   LYS  28          3HZ       LYS  28 101.216 -11.249  -5.201
  174    H    LEU  29           H        LEU  29 102.677  -6.159  -1.641
  175    HA   LEU  29           HA       LEU  29 102.090  -5.049   0.876
  176   1HB   LEU  29          1HB       LEU  29 102.778  -3.002  -1.066
  177   2HB   LEU  29          2HB       LEU  29 103.578  -3.424   0.420
  178    HG   LEU  29           HG       LEU  29 104.149  -4.321  -2.378
  179   1HD1  LEU  29          1HD1      LEU  29 105.319  -2.587  -0.555
  180   2HD1  LEU  29          2HD1      LEU  29 106.012  -3.182  -2.064
  181   3HD1  LEU  29          3HD1      LEU  29 106.353  -4.012  -0.549
  182   1HD2  LEU  29          1HD2      LEU  29 105.762  -5.831  -0.634
  183   2HD2  LEU  29          2HD2      LEU  29 104.557  -6.427  -1.772
  184   3HD2  LEU  29          3HD2      LEU  29 104.103  -6.079  -0.104
  185    HA   PRO  30           HA       PRO  30  98.374  -2.626   0.652
  186   1HB   PRO  30          1HB       PRO  30 100.066  -0.179   0.276
  187   2HB   PRO  30          2HB       PRO  30  98.680  -0.429   1.349
  188   1HG   PRO  30          1HG       PRO  30 101.176  -0.495   2.296
  189   2HG   PRO  30          2HG       PRO  30  99.928  -1.597   2.911
  190   1HD   PRO  30          1HD       PRO  30 102.253  -2.161   1.159
  191   2HD   PRO  30          2HD       PRO  30 101.385  -3.239   2.272
  192    HA   PRO  31           HA       PRO  31  97.367  -1.950  -3.585
  193   1HB   PRO  31          1HB       PRO  31  96.094   0.516  -3.602
  194   2HB   PRO  31          2HB       PRO  31  95.328  -1.030  -3.215
  195   1HG   PRO  31          1HG       PRO  31  96.387   1.077  -1.379
  196   2HG   PRO  31          2HG       PRO  31  94.926   0.082  -1.226
  197   1HD   PRO  31          1HD       PRO  31  97.138  -0.456   0.189
  198   2HD   PRO  31          2HD       PRO  31  96.112  -1.757  -0.449
  199    H    GLY  32           H        GLY  32  99.187  -1.680  -4.801
  200   1HA   GLY  32          1HA       GLY  32 100.210  -0.255  -6.419
  201   2HA   GLY  32          2HA       GLY  32  99.968   1.100  -5.337
  202    H    VAL  33           H        VAL  33 101.562  -2.056  -4.679
  203    HA   VAL  33           HA       VAL  33 104.097  -0.634  -4.482
  204    HB   VAL  33           HB       VAL  33 103.797  -2.547  -2.354
  205   1HG1  VAL  33          1HG1      VAL  33 105.743  -1.136  -2.660
  206   2HG1  VAL  33          2HG1      VAL  33 104.968  -0.832  -1.109
  207   3HG1  VAL  33          3HG1      VAL  33 104.737   0.294  -2.444
  208   1HG2  VAL  33          1HG2      VAL  33 101.659  -1.804  -1.938
  209   2HG2  VAL  33          2HG2      VAL  33 102.014  -0.162  -2.472
  210   3HG2  VAL  33          3HG2      VAL  33 102.633  -0.746  -0.926
  211    H    ASP  34           H        ASP  34 105.881  -1.689  -4.954
  212    HA   ASP  34           HA       ASP  34 105.839  -4.579  -5.304
  213   1HB   ASP  34          1HB       ASP  34 105.205  -3.417  -7.501
  214   2HB   ASP  34          2HB       ASP  34 106.861  -2.809  -7.526
  215    H    ARG  35           H        ARG  35 107.659  -5.417  -4.491
  216    HA   ARG  35           HA       ARG  35 109.588  -4.048  -3.143
  217   1HB   ARG  35          1HB       ARG  35 110.966  -6.043  -3.235
  218   2HB   ARG  35          2HB       ARG  35 109.277  -6.484  -3.025
  219   1HG   ARG  35          1HG       ARG  35 110.470  -6.410  -5.762
  220   2HG   ARG  35          2HG       ARG  35 110.753  -7.795  -4.700
  221   1HD   ARG  35          1HD       ARG  35 108.233  -7.882  -4.399
  222   2HD   ARG  35          2HD       ARG  35 108.134  -6.751  -5.747
  223    HE   ARG  35           HE       ARG  35 108.679  -8.455  -7.187
  224   1HH1  ARG  35          1HH1      ARG  35 109.260  -9.491  -3.904
  225   2HH1  ARG  35          2HH1      ARG  35 109.533 -11.143  -4.342
  226   1HH2  ARG  35          1HH2      ARG  35 109.039 -10.630  -7.763
  227   2HH2  ARG  35          2HH2      ARG  35 109.408 -11.790  -6.531
  228    H    MET  36           H        MET  36 109.374  -4.387  -6.583
  229    HA   MET  36           HA       MET  36 111.947  -4.132  -7.464
  230   1HB   MET  36          1HB       MET  36 109.387  -2.938  -8.491
  231   2HB   MET  36          2HB       MET  36 110.912  -2.677  -9.324
  232   1HG   MET  36          1HG       MET  36 111.130  -4.912  -9.901
  233   2HG   MET  36          2HG       MET  36 109.997  -5.443  -8.655
  234   1HE   MET  36          1HE       MET  36 109.371  -6.935 -11.063
  235   2HE   MET  36          2HE       MET  36 110.314  -5.841 -12.074
  236   3HE   MET  36          3HE       MET  36 108.615  -6.139 -12.443
  237    H    ARG  37           H        ARG  37 109.902  -1.585  -6.113
  238    HA   ARG  37           HA       ARG  37 112.299   0.083  -5.841
  239   1HB   ARG  37          1HB       ARG  37 110.433   2.005  -6.288
  240   2HB   ARG  37          2HB       ARG  37 111.531   1.388  -7.511
  241   1HG   ARG  37          1HG       ARG  37 108.989  -0.075  -7.158
  242   2HG   ARG  37          2HG       ARG  37 108.889   1.543  -7.855
  243   1HD   ARG  37          1HD       ARG  37 110.483   0.918  -9.581
  244   2HD   ARG  37          2HD       ARG  37 110.659  -0.682  -8.864
  245    HE   ARG  37           HE       ARG  37 107.946  -0.149  -9.496
  246   1HH1  ARG  37          1HH1      ARG  37 110.999  -1.005 -10.954
  247   2HH1  ARG  37          2HH1      ARG  37 110.271  -1.814 -12.300
  248   1HH2  ARG  37          1HH2      ARG  37 106.987  -1.212 -11.266
  249   2HH2  ARG  37          2HH2      ARG  37 107.994  -1.931 -12.478
  250    H    LEU  38           H        LEU  38 110.633  -1.581  -4.014
  251    HA   LEU  38           HA       LEU  38 108.932  -0.219  -2.391
  252   1HB   LEU  38          1HB       LEU  38 110.641  -2.539  -2.189
  253   2HB   LEU  38          2HB       LEU  38 110.493  -1.717  -0.639
  254    HG   LEU  38           HG       LEU  38 108.186  -2.652  -2.343
  255   1HD1  LEU  38          1HD1      LEU  38 109.811  -3.941  -0.291
  256   2HD1  LEU  38          2HD1      LEU  38 108.710  -4.640  -1.478
  257   3HD1  LEU  38          3HD1      LEU  38 108.081  -3.992   0.033
  258   1HD2  LEU  38          1HD2      LEU  38 107.125  -1.053  -1.200
  259   2HD2  LEU  38          2HD2      LEU  38 108.424  -0.887  -0.022
  260   3HD2  LEU  38          3HD2      LEU  38 107.230  -2.172   0.158
  261    H    GLU  39           H        GLU  39 112.426   0.111  -2.530
  262    HA   GLU  39           HA       GLU  39 112.678   1.566  -0.105
  263   1HB   GLU  39          1HB       GLU  39 114.910   1.809  -0.613
  264   2HB   GLU  39          2HB       GLU  39 114.499   0.358  -1.516
  265   1HG   GLU  39          1HG       GLU  39 114.712   3.141  -2.641
  266   2HG   GLU  39          2HG       GLU  39 115.900   1.850  -2.820
  267    H    ARG  40           H        ARG  40 110.882   2.422  -2.621
  268    HA   ARG  40           HA       ARG  40 111.569   5.276  -2.399
  269   1HB   ARG  40          1HB       ARG  40 111.287   3.638  -4.686
  270   2HB   ARG  40          2HB       ARG  40 109.901   4.718  -4.664
  271   1HG   ARG  40          1HG       ARG  40 112.282   6.193  -4.062
  272   2HG   ARG  40          2HG       ARG  40 112.508   5.267  -5.548
  273   1HD   ARG  40          1HD       ARG  40 111.539   7.107  -6.452
  274   2HD   ARG  40          2HD       ARG  40 110.070   6.229  -6.033
  275    HE   ARG  40           HE       ARG  40 110.531   7.678  -3.815
  276   1HH1  ARG  40          1HH1      ARG  40 110.408   8.543  -7.195
  277   2HH1  ARG  40          2HH1      ARG  40 109.850  10.153  -6.891
  278   1HH2  ARG  40          1HH2      ARG  40 109.798   9.795  -3.414
  279   2HH2  ARG  40          2HH2      ARG  40 109.504  10.865  -4.744
  280    H    HIS  41           H        HIS  41 109.346   2.858  -1.721
  281    HA   HIS  41           HA       HIS  41 107.001   4.565  -1.712
  282   1HB   HIS  41          1HB       HIS  41 107.564   1.659  -1.299
  283   2HB   HIS  41          2HB       HIS  41 106.091   2.336  -0.626
  284    HD1  HIS  41           HD1      HIS  41 104.647   3.765  -2.557
  285    HD2  HIS  41           HD2      HIS  41 107.241   0.774  -3.820
  286    HE1  HIS  41           HE1      HIS  41 103.903   3.165  -4.883
  287    HE2  HIS  41           HE2      HIS  41 105.430   1.292  -5.591
  288    H    LEU  42           H        LEU  42 109.587   4.033   0.302
  289    HA   LEU  42           HA       LEU  42 108.195   4.075   2.814
  290   1HB   LEU  42          1HB       LEU  42 111.097   4.284   2.031
  291   2HB   LEU  42          2HB       LEU  42 110.539   4.312   3.698
  292    HG   LEU  42           HG       LEU  42 109.496   2.029   2.223
  293   1HD1  LEU  42          1HD1      LEU  42 111.311   1.346   1.164
  294   2HD1  LEU  42          2HD1      LEU  42 112.115   1.190   2.729
  295   3HD1  LEU  42          3HD1      LEU  42 112.258   2.689   1.802
  296   1HD2  LEU  42          1HD2      LEU  42 109.785   2.689   4.770
  297   2HD2  LEU  42          2HD2      LEU  42 111.286   1.792   4.552
  298   3HD2  LEU  42          3HD2      LEU  42 109.737   1.015   4.219
  299    H    SER  43           H        SER  43 108.057   5.772   4.226
  300    HA   SER  43           HA       SER  43 108.048   8.394   3.084
  301   1HB   SER  43          1HB       SER  43 107.034   9.108   5.081
  302   2HB   SER  43          2HB       SER  43 106.484   7.437   4.917
  303    HG   SER  43           HG       SER  43 107.227   7.381   6.911
  304    H    ALA  44           H        ALA  44 109.220  10.232   3.949
  305    HA   ALA  44           HA       ALA  44 111.950   9.958   3.938
  306   1HB   ALA  44          1HB       ALA  44 110.501  12.088   3.825
  307   2HB   ALA  44          2HB       ALA  44 112.103  12.200   4.557
  308   3HB   ALA  44          3HB       ALA  44 110.670  12.115   5.581
  309    H    GLU  45           H        GLU  45 109.763   9.497   6.594
  310    HA   GLU  45           HA       GLU  45 111.828   9.462   8.612
  311   1HB   GLU  45          1HB       GLU  45 109.348   8.083   9.314
  312   2HB   GLU  45          2HB       GLU  45 110.134   9.438  10.100
  313   1HG   GLU  45          1HG       GLU  45 109.152  10.748   8.027
  314   2HG   GLU  45          2HG       GLU  45 108.009   9.405   8.041
  315    H    ASP  46           H        ASP  46 109.727   7.094   7.047
  316    HA   ASP  46           HA       ASP  46 110.760   4.792   8.217
  317   1HB   ASP  46          1HB       ASP  46 109.734   4.934   5.383
  318   2HB   ASP  46          2HB       ASP  46 109.666   3.565   6.495
  319    H    PHE  47           H        PHE  47 111.630   6.258   5.066
  320    HA   PHE  47           HA       PHE  47 113.604   4.469   4.331
  321   1HB   PHE  47          1HB       PHE  47 112.587   6.483   3.055
  322   2HB   PHE  47          2HB       PHE  47 113.886   7.412   3.808
  323    HD1  PHE  47           HD1      PHE  47 113.256   4.392   1.757
  324    HD2  PHE  47           HD2      PHE  47 115.984   7.468   2.845
  325    HE1  PHE  47           HE1      PHE  47 114.810   3.647  -0.013
  326    HE2  PHE  47           HE2      PHE  47 117.538   6.729   1.083
  327    HZ   PHE  47           HZ       PHE  47 116.944   4.819  -0.350
  328    H    SER  48           H        SER  48 114.077   7.586   5.995
  329    HA   SER  48           HA       SER  48 116.825   7.200   6.468
  330   1HB   SER  48          1HB       SER  48 114.856   8.967   7.941
  331   2HB   SER  48          2HB       SER  48 116.613   9.088   8.046
  332    HG   SER  48           HG       SER  48 116.512   9.380   5.682
  333    H    ARG  49           H        ARG  49 114.142   5.713   7.895
  334    HA   ARG  49           HA       ARG  49 115.457   5.271  10.457
  335   1HB   ARG  49          1HB       ARG  49 113.037   5.766  10.397
  336   2HB   ARG  49          2HB       ARG  49 112.774   4.302   9.459
  337   1HG   ARG  49          1HG       ARG  49 112.422   3.285  11.400
  338   2HG   ARG  49          2HG       ARG  49 114.163   3.401  11.659
  339   1HD   ARG  49          1HD       ARG  49 112.033   5.310  12.606
  340   2HD   ARG  49          2HD       ARG  49 113.060   4.271  13.597
  341    HE   ARG  49           HE       ARG  49 114.850   5.811  12.298
  342   1HH1  ARG  49          1HH1      ARG  49 111.984   6.572  14.138
  343   2HH1  ARG  49          2HH1      ARG  49 112.583   8.104  14.674
  344   1HH2  ARG  49          1HH2      ARG  49 115.641   7.827  13.003
  345   2HH2  ARG  49          2HH2      ARG  49 114.658   8.818  14.028
  346    H    VAL  50           H        VAL  50 114.574   3.526   7.531
  347    HA   VAL  50           HA       VAL  50 115.550   1.011   8.625
  348    HB   VAL  50           HB       VAL  50 114.650   1.463   5.788
  349   1HG1  VAL  50          1HG1      VAL  50 114.345  -0.852   5.690
  350   2HG1  VAL  50          2HG1      VAL  50 114.400  -1.025   7.443
  351   3HG1  VAL  50          3HG1      VAL  50 115.871  -0.645   6.549
  352   1HG2  VAL  50          1HG2      VAL  50 112.440   1.240   6.311
  353   2HG2  VAL  50          2HG2      VAL  50 112.992   2.136   7.727
  354   3HG2  VAL  50          3HG2      VAL  50 112.766   0.390   7.821
  355    H    PHE  51           H        PHE  51 116.465   3.407   6.195
  356    HA   PHE  51           HA       PHE  51 118.897   1.868   5.625
  357   1HB   PHE  51          1HB       PHE  51 117.707   4.229   4.159
  358   2HB   PHE  51          2HB       PHE  51 119.148   3.341   3.671
  359    HD1  PHE  51           HD1      PHE  51 118.572   0.611   3.753
  360    HD2  PHE  51           HD2      PHE  51 115.914   3.799   2.836
  361    HE1  PHE  51           HE1      PHE  51 117.177  -0.934   2.431
  362    HE2  PHE  51           HE2      PHE  51 114.512   2.258   1.516
  363    HZ   PHE  51           HZ       PHE  51 115.151  -0.104   1.313
  364    H    ALA  52           H        ALA  52 117.796   4.986   6.832
  365    HA   ALA  52           HA       ALA  52 118.879   6.512   8.166
  366   1HB   ALA  52          1HB       ALA  52 121.452   5.015   7.888
  367   2HB   ALA  52          2HB       ALA  52 120.170   4.424   8.945
  368   3HB   ALA  52          3HB       ALA  52 120.887   6.011   9.228
  369    H    MET  53           H        MET  53 119.058   6.179   5.092
  370    HA   MET  53           HA       MET  53 120.959   8.382   4.679
  371   1HB   MET  53          1HB       MET  53 121.036   7.076   2.292
  372   2HB   MET  53          2HB       MET  53 122.248   6.936   3.561
  373   1HG   MET  53          1HG       MET  53 121.567   4.858   4.185
  374   2HG   MET  53          2HG       MET  53 119.893   5.139   3.696
  375   1HE   MET  53          1HE       MET  53 119.301   5.644   1.256
  376   2HE   MET  53          2HE       MET  53 120.032   4.822  -0.124
  377   3HE   MET  53          3HE       MET  53 120.762   6.294   0.508
  378    H    SER  54           H        SER  54 120.554   9.597   2.711
  379    HA   SER  54           HA       SER  54 117.833  10.387   2.591
  380   1HB   SER  54          1HB       SER  54 120.315  11.153   1.063
  381   2HB   SER  54          2HB       SER  54 118.737  11.849   0.677
  382    HG   SER  54           HG       SER  54 119.867  13.149   2.165
  383    HA   PRO  55           HA       PRO  55 116.131   7.740  -0.551
  384   1HB   PRO  55          1HB       PRO  55 114.926  10.279  -1.555
  385   2HB   PRO  55          2HB       PRO  55 114.147   8.733  -1.198
  386   1HG   PRO  55          1HG       PRO  55 113.898  10.811   0.459
  387   2HG   PRO  55          2HG       PRO  55 114.048   9.153   1.077
  388   1HD   PRO  55          1HD       PRO  55 116.057  11.353   1.040
  389   2HD   PRO  55          2HD       PRO  55 115.834  10.042   2.219
  390    H    GLU  56           H        GLU  56 117.702  10.785  -1.205
  391    HA   GLU  56           HA       GLU  56 118.170  10.237  -3.993
  392   1HB   GLU  56          1HB       GLU  56 118.013  12.528  -3.553
  393   2HB   GLU  56          2HB       GLU  56 118.952  12.407  -2.069
  394   1HG   GLU  56          1HG       GLU  56 120.901  12.689  -3.128
  395   2HG   GLU  56          2HG       GLU  56 120.417  11.695  -4.506
  396    H    GLU  57           H        GLU  57 119.840   9.887  -0.932
  397    HA   GLU  57           HA       GLU  57 122.438   9.457  -1.820
  398   1HB   GLU  57          1HB       GLU  57 120.920   8.822   0.645
  399   2HB   GLU  57          2HB       GLU  57 122.254   7.729   0.305
  400   1HG   GLU  57          1HG       GLU  57 123.751   9.694   0.107
  401   2HG   GLU  57          2HG       GLU  57 122.400  10.715   0.599
  402    H    PHE  58           H        PHE  58 119.862   7.050  -1.258
  403    HA   PHE  58           HA       PHE  58 121.085   4.704  -1.967
  404   1HB   PHE  58          1HB       PHE  58 118.516   5.460  -1.478
  405   2HB   PHE  58          2HB       PHE  58 118.419   5.132  -3.206
  406    HD1  PHE  58           HD1      PHE  58 118.501   3.721   0.091
  407    HD2  PHE  58           HD2      PHE  58 119.080   2.841  -4.032
  408    HE1  PHE  58           HE1      PHE  58 118.219   1.328   0.569
  409    HE2  PHE  58           HE2      PHE  58 118.797   0.443  -3.558
  410    HZ   PHE  58           HZ       PHE  58 118.367  -0.320  -1.255
  411    H    GLY  59           H        GLY  59 119.275   6.706  -4.316
  412   1HA   GLY  59          1HA       GLY  59 120.068   5.353  -6.608
  413   2HA   GLY  59          2HA       GLY  59 119.590   7.043  -6.565
  414    H    LYS  60           H        LYS  60 121.886   7.551  -4.648
  415    HA   LYS  60           HA       LYS  60 123.915   7.861  -6.735
  416   1HB   LYS  60          1HB       LYS  60 123.265   9.307  -4.208
  417   2HB   LYS  60          2HB       LYS  60 124.933   9.331  -4.777
  418   1HG   LYS  60          1HG       LYS  60 124.435  10.584  -6.622
  419   2HG   LYS  60          2HG       LYS  60 122.769   9.998  -6.704
  420   1HD   LYS  60          1HD       LYS  60 122.282  12.035  -5.867
  421   2HD   LYS  60          2HD       LYS  60 122.726  11.292  -4.329
  422   1HE   LYS  60          1HE       LYS  60 125.153  12.069  -5.199
  423   2HE   LYS  60          2HE       LYS  60 124.147  13.309  -5.948
  424   1HZ   LYS  60          1HZ       LYS  60 123.643  14.221  -3.968
  425   2HZ   LYS  60          2HZ       LYS  60 125.080  13.482  -3.469
  426   3HZ   LYS  60          3HZ       LYS  60 123.594  12.739  -3.153
  427    H    LEU  61           H        LEU  61 123.231   5.612  -4.465
  428    HA   LEU  61           HA       LEU  61 125.822   5.275  -3.305
  429   1HB   LEU  61          1HB       LEU  61 123.335   3.557  -3.334
  430   2HB   LEU  61          2HB       LEU  61 124.769   3.183  -2.405
  431    HG   LEU  61           HG       LEU  61 122.849   5.432  -1.987
  432   1HD1  LEU  61          1HD1      LEU  61 123.409   2.872  -0.768
  433   2HD1  LEU  61          2HD1      LEU  61 122.012   3.927  -0.595
  434   3HD1  LEU  61          3HD1      LEU  61 123.443   4.195   0.397
  435   1HD2  LEU  61          1HD2      LEU  61 125.072   6.393  -1.817
  436   2HD2  LEU  61          2HD2      LEU  61 125.574   5.083  -0.747
  437   3HD2  LEU  61          3HD2      LEU  61 124.352   6.237  -0.215
  438    H    ALA  62           H        ALA  62 125.450   2.266  -3.697
  439    HA   ALA  62           HA       ALA  62 126.464   2.066  -6.444
  440   1HB   ALA  62          1HB       ALA  62 127.548   0.443  -4.153
  441   2HB   ALA  62          2HB       ALA  62 128.272   1.956  -4.693
  442   3HB   ALA  62          3HB       ALA  62 128.188   0.577  -5.789
  443    H    LEU  63           H        LEU  63 126.769  -0.616  -6.684
  444    HA   LEU  63           HA       LEU  63 124.010  -1.518  -6.689
  445   1HB   LEU  63          1HB       LEU  63 125.661  -1.761  -8.608
  446   2HB   LEU  63          2HB       LEU  63 126.413  -3.035  -7.667
  447    HG   LEU  63           HG       LEU  63 123.588  -3.511  -7.829
  448   1HD1  LEU  63          1HD1      LEU  63 123.460  -3.944 -10.259
  449   2HD1  LEU  63          2HD1      LEU  63 124.996  -3.099 -10.459
  450   3HD1  LEU  63          3HD1      LEU  63 123.583  -2.228  -9.861
  451   1HD2  LEU  63          1HD2      LEU  63 124.269  -5.647  -8.186
  452   2HD2  LEU  63          2HD2      LEU  63 125.773  -4.988  -7.539
  453   3HD2  LEU  63          3HD2      LEU  63 125.566  -5.169  -9.283
  454    H    TRP  64           H        TRP  64 126.925  -2.098  -4.936
  455    HA   TRP  64           HA       TRP  64 125.998  -4.542  -3.719
  456   1HB   TRP  64          1HB       TRP  64 128.161  -4.232  -2.427
  457   2HB   TRP  64          2HB       TRP  64 128.347  -4.384  -4.180
  458    HD1  TRP  64           HD1      TRP  64 129.387  -2.331  -5.443
  459    HE1  TRP  64           HE1      TRP  64 130.295  -0.051  -4.681
  460    HE3  TRP  64           HE3      TRP  64 127.655  -2.409  -0.763
  461    HZ2  TRP  64           HZ2      TRP  64 130.264   1.508  -2.278
  462    HZ3  TRP  64           HZ3      TRP  64 128.131  -0.488   0.744
  463    HH2  TRP  64           HH2      TRP  64 129.394   1.423  -0.013
  464    H    LYS  65           H        LYS  65 126.278  -1.144  -3.138
  465    HA   LYS  65           HA       LYS  65 125.640  -1.206  -0.350
  466   1HB   LYS  65          1HB       LYS  65 126.787   0.701  -1.553
  467   2HB   LYS  65          2HB       LYS  65 125.227   1.094  -2.266
  468   1HG   LYS  65          1HG       LYS  65 125.361   2.538  -0.467
  469   2HG   LYS  65          2HG       LYS  65 124.388   1.204   0.166
  470   1HD   LYS  65          1HD       LYS  65 126.366   0.259   1.235
  471   2HD   LYS  65          2HD       LYS  65 127.356   1.567   0.576
  472   1HE   LYS  65          1HE       LYS  65 125.526   3.050   1.801
  473   2HE   LYS  65          2HE       LYS  65 125.383   1.596   2.799
  474   1HZ   LYS  65          1HZ       LYS  65 127.843   3.191   2.317
  475   2HZ   LYS  65          2HZ       LYS  65 127.813   1.716   3.147
  476   3HZ   LYS  65          3HZ       LYS  65 126.988   3.055   3.771
  477    H    ARG  66           H        ARG  66 123.746  -0.078  -3.166
  478    HA   ARG  66           HA       ARG  66 121.283   0.229  -2.006
  479   1HB   ARG  66          1HB       ARG  66 121.936  -0.897  -4.732
  480   2HB   ARG  66          2HB       ARG  66 120.327  -0.393  -4.238
  481   1HG   ARG  66          1HG       ARG  66 121.097   1.872  -3.924
  482   2HG   ARG  66          2HG       ARG  66 122.744   1.380  -4.319
  483   1HD   ARG  66          1HD       ARG  66 120.389   1.138  -6.191
  484   2HD   ARG  66          2HD       ARG  66 121.538   2.484  -6.199
  485    HE   ARG  66           HE       ARG  66 123.026   0.161  -6.423
  486   1HH1  ARG  66          1HH1      ARG  66 120.559   1.811  -8.257
  487   2HH1  ARG  66          2HH1      ARG  66 121.122   1.221  -9.785
  488   1HH2  ARG  66          1HH2      ARG  66 123.770  -0.615  -8.433
  489   2HH2  ARG  66          2HH2      ARG  66 122.945  -0.157  -9.884
  490    H    ASN  67           H        ASN  67 122.744  -2.707  -3.252
  491    HA   ASN  67           HA       ASN  67 120.594  -4.457  -2.794
  492   1HB   ASN  67          1HB       ASN  67 123.492  -4.718  -3.286
  493   2HB   ASN  67          2HB       ASN  67 122.766  -6.070  -2.415
  494   1HD2  ASN  67          1HD2      ASN  67 122.422  -4.072  -5.302
  495   2HD2  ASN  67          2HD2      ASN  67 121.719  -5.304  -6.289
  496    H    GLU  68           H        GLU  68 123.536  -4.184  -0.804
  497    HA   GLU  68           HA       GLU  68 122.816  -5.632   1.372
  498   1HB   GLU  68          1HB       GLU  68 124.432  -3.096   1.210
  499   2HB   GLU  68          2HB       GLU  68 124.265  -4.010   2.702
  500   1HG   GLU  68          1HG       GLU  68 125.063  -5.640   0.421
  501   2HG   GLU  68          2HG       GLU  68 126.213  -4.363   0.819
  502    H    LEU  69           H        LEU  69 121.966  -2.229   0.767
  503    HA   LEU  69           HA       LEU  69 120.706  -1.758   3.234
  504   1HB   LEU  69          1HB       LEU  69 119.875  -0.521   0.624
  505   2HB   LEU  69          2HB       LEU  69 119.707   0.149   2.235
  506    HG   LEU  69           HG       LEU  69 122.427  -0.450   1.298
  507   1HD1  LEU  69          1HD1      LEU  69 122.495   1.003  -0.377
  508   2HD1  LEU  69          2HD1      LEU  69 121.627   2.217   0.556
  509   3HD1  LEU  69          3HD1      LEU  69 120.735   0.992  -0.336
  510   1HD2  LEU  69          1HD2      LEU  69 121.108   1.599   3.039
  511   2HD2  LEU  69          2HD2      LEU  69 122.776   1.775   2.495
  512   3HD2  LEU  69          3HD2      LEU  69 122.311   0.389   3.482
  513    H    LYS  70           H        LYS  70 119.206  -2.373   0.089
  514    HA   LYS  70           HA       LYS  70 116.605  -2.880   1.034
  515   1HB   LYS  70          1HB       LYS  70 118.122  -3.538  -1.450
  516   2HB   LYS  70          2HB       LYS  70 116.599  -4.363  -1.164
  517   1HG   LYS  70          1HG       LYS  70 115.360  -2.408  -1.300
  518   2HG   LYS  70          2HG       LYS  70 116.765  -1.384  -0.982
  519   1HD   LYS  70          1HD       LYS  70 116.251  -1.152  -3.290
  520   2HD   LYS  70          2HD       LYS  70 117.693  -2.165  -3.190
  521   1HE   LYS  70          1HE       LYS  70 116.174  -4.160  -3.341
  522   2HE   LYS  70          2HE       LYS  70 114.856  -3.043  -3.693
  523   1HZ   LYS  70          1HZ       LYS  70 115.969  -4.059  -5.673
  524   2HZ   LYS  70          2HZ       LYS  70 117.347  -3.155  -5.295
  525   3HZ   LYS  70          3HZ       LYS  70 115.901  -2.368  -5.684
  526    H    LYS  71           H        LYS  71 119.480  -4.745   1.115
  527    HA   LYS  71           HA       LYS  71 118.163  -7.283   1.512
  528   1HB   LYS  71          1HB       LYS  71 121.021  -6.340   1.402
  529   2HB   LYS  71          2HB       LYS  71 120.627  -7.964   1.977
  530   1HG   LYS  71          1HG       LYS  71 119.604  -8.510  -0.124
  531   2HG   LYS  71          2HG       LYS  71 119.795  -6.847  -0.691
  532   1HD   LYS  71          1HD       LYS  71 122.120  -7.059  -0.874
  533   2HD   LYS  71          2HD       LYS  71 122.162  -8.490   0.157
  534   1HE   LYS  71          1HE       LYS  71 120.762  -9.605  -1.686
  535   2HE   LYS  71          2HE       LYS  71 121.267  -8.252  -2.695
  536   1HZ   LYS  71          1HZ       LYS  71 123.615  -8.929  -1.862
  537   2HZ   LYS  71          2HZ       LYS  71 122.892  -9.785  -3.128
  538   3HZ   LYS  71          3HZ       LYS  71 122.884 -10.425  -1.562
  539    H    LYS  72           H        LYS  72 119.540  -4.745   3.453
  540    HA   LYS  72           HA       LYS  72 119.368  -6.364   5.867
  541   1HB   LYS  72          1HB       LYS  72 121.401  -5.091   5.688
  542   2HB   LYS  72          2HB       LYS  72 120.506  -3.618   5.342
  543   1HG   LYS  72          1HG       LYS  72 119.798  -4.870   7.889
  544   2HG   LYS  72          2HG       LYS  72 121.479  -4.337   7.782
  545   1HD   LYS  72          1HD       LYS  72 120.839  -2.236   8.126
  546   2HD   LYS  72          2HD       LYS  72 119.839  -2.296   6.676
  547   1HE   LYS  72          1HE       LYS  72 118.011  -2.196   7.933
  548   2HE   LYS  72          2HE       LYS  72 118.475  -3.698   8.733
  549   1HZ   LYS  72          1HZ       LYS  72 119.731  -2.445  10.340
  550   2HZ   LYS  72          2HZ       LYS  72 118.146  -1.856  10.293
  551   3HZ   LYS  72          3HZ       LYS  72 119.392  -0.992   9.543
  552    H    ALA  73           H        ALA  73 117.751  -3.946   4.097
  553    HA   ALA  73           HA       ALA  73 116.148  -2.935   6.262
  554   1HB   ALA  73          1HB       ALA  73 116.420  -2.441   3.352
  555   2HB   ALA  73          2HB       ALA  73 116.425  -1.299   4.696
  556   3HB   ALA  73          3HB       ALA  73 114.903  -1.986   4.127
  557    H    GLU  74           H        GLU  74 116.135  -5.843   4.791
  558    HA   GLU  74           HA       GLU  74 114.612  -7.534   4.709
  559   1HB   GLU  74          1HB       GLU  74 112.564  -5.653   5.870
  560   2HB   GLU  74          2HB       GLU  74 112.609  -7.404   5.981
  561   1HG   GLU  74          1HG       GLU  74 114.628  -7.243   7.376
  562   2HG   GLU  74          2HG       GLU  74 114.511  -5.485   7.305
  563    H    LEU  75           H        LEU  75 114.791  -5.153   2.732
  564    HA   LEU  75           HA       LEU  75 112.538  -6.050   1.135
  565   1HB   LEU  75          1HB       LEU  75 112.699  -3.391   0.422
  566   2HB   LEU  75          2HB       LEU  75 111.426  -4.145   1.372
  567    HG   LEU  75           HG       LEU  75 113.388  -3.532   3.219
  568   1HD1  LEU  75          1HD1      LEU  75 114.686  -2.129   1.890
  569   2HD1  LEU  75          2HD1      LEU  75 113.612  -1.018   2.743
  570   3HD1  LEU  75          3HD1      LEU  75 113.278  -1.459   1.064
  571   1HD2  LEU  75          1HD2      LEU  75 111.709  -1.512   3.565
  572   2HD2  LEU  75          2HD2      LEU  75 111.258  -3.175   3.937
  573   3HD2  LEU  75          3HD2      LEU  75 110.750  -2.444   2.413
  574    H    PHE  76           H        PHE  76 114.478  -7.260   0.310
  575    HA   PHE  76           HA       PHE  76 115.650  -5.709  -1.903
  576   1HB   PHE  76          1HB       PHE  76 117.628  -6.115  -0.862
  577   2HB   PHE  76          2HB       PHE  76 116.975  -7.458   0.078
  578    HD1  PHE  76           HD1      PHE  76 118.404  -6.478  -3.176
  579    HD2  PHE  76           HD2      PHE  76 117.239  -9.702  -0.655
  580    HE1  PHE  76           HE1      PHE  76 119.561  -8.056  -4.667
  581    HE2  PHE  76           HE2      PHE  76 118.397 -11.287  -2.139
  582    HZ   PHE  76           HZ       PHE  76 119.559 -10.464  -4.149
  Start of MODEL   15
    1    HT1  PRO   9           HT1      PRO   9 102.617  13.791 -11.078
    2    HT2  PRO   9           HT2      PRO   9 103.349  12.474 -10.416
    3    HA   PRO   9           HA       PRO   9 102.407  14.557  -9.193
    4   1HB   PRO   9          1HB       PRO   9 100.624  12.606  -7.999
    5   2HB   PRO   9          2HB       PRO   9 100.267  14.241  -8.569
    6   1HG   PRO   9          1HG       PRO   9  99.375  11.997  -9.827
    7   2HG   PRO   9          2HG       PRO   9  99.690  13.528 -10.665
    8   1HD   PRO   9          1HD       PRO   9 101.415  11.074 -10.487
    9   2HD   PRO   9          2HD       PRO   9 101.059  12.095 -11.894
   10    H    GLY  10           H        GLY  10 102.879  11.064  -9.016
   11   1HA   GLY  10          1HA       GLY  10 105.086  10.645  -7.743
   12   2HA   GLY  10          2HA       GLY  10 104.212  11.384  -6.411
   13    H    LEU  11           H        LEU  11 104.883   9.216  -5.518
   14    HA   LEU  11           HA       LEU  11 102.806   7.228  -6.139
   15   1HB   LEU  11          1HB       LEU  11 104.696   5.777  -4.853
   16   2HB   LEU  11          2HB       LEU  11 104.533   5.885  -6.594
   17    HG   LEU  11           HG       LEU  11 106.165   7.960  -6.244
   18   1HD1  LEU  11          1HD1      LEU  11 107.849   7.288  -4.497
   19   2HD1  LEU  11          2HD1      LEU  11 106.625   6.189  -3.859
   20   3HD1  LEU  11          3HD1      LEU  11 106.325   7.927  -3.883
   21   1HD2  LEU  11          1HD2      LEU  11 107.776   6.650  -7.173
   22   2HD2  LEU  11          2HD2      LEU  11 106.385   5.590  -7.402
   23   3HD2  LEU  11          3HD2      LEU  11 107.492   5.315  -6.057
   24    H    GLN  12           H        GLN  12 102.241   5.808  -4.292
   25    HA   GLN  12           HA       GLN  12 101.617   7.426  -1.999
   26   1HB   GLN  12          1HB       GLN  12 100.655   5.117  -1.206
   27   2HB   GLN  12          2HB       GLN  12  99.847   6.030  -2.472
   28   1HG   GLN  12          1HG       GLN  12 101.892   4.095  -3.354
   29   2HG   GLN  12          2HG       GLN  12 100.417   3.425  -2.664
   30   1HE2  GLN  12          1HE2      GLN  12 101.639   3.668  -5.458
   31   2HE2  GLN  12          2HE2      GLN  12 100.321   4.221  -6.428
   32    H    ILE  13           H        ILE  13 102.159   6.953   0.186
   33    HA   ILE  13           HA       ILE  13 104.509   5.230   0.544
   34    HB   ILE  13           HB       ILE  13 104.204   7.992   1.729
   35   1HG1  ILE  13          1HG1      ILE  13 105.782   6.932  -0.610
   36   2HG1  ILE  13          2HG1      ILE  13 104.698   8.321  -0.556
   37   1HG2  ILE  13          1HG2      ILE  13 105.427   6.208   3.059
   38   2HG2  ILE  13          2HG2      ILE  13 106.314   7.695   2.722
   39   3HG2  ILE  13          3HG2      ILE  13 106.642   6.239   1.782
   40   1HD1  ILE  13          1HD1      ILE  13 107.537   8.158  -0.048
   41   2HD1  ILE  13          2HD1      ILE  13 106.672   8.949   1.271
   42   3HD1  ILE  13          3HD1      ILE  13 106.524   9.563  -0.375
   43    H    TYR  14           H        TYR  14 104.248   3.816   2.119
   44    HA   TYR  14           HA       TYR  14 102.417   4.430   4.348
   45   1HB   TYR  14          1HB       TYR  14 102.787   1.653   3.237
   46   2HB   TYR  14          2HB       TYR  14 101.496   2.255   4.270
   47    HD1  TYR  14           HD1      TYR  14 102.899   2.583   0.839
   48    HD2  TYR  14           HD2      TYR  14  99.479   2.950   3.343
   49    HE1  TYR  14           HE1      TYR  14 101.498   2.957  -1.140
   50    HE2  TYR  14           HE2      TYR  14  98.066   3.330   1.368
   51    HH   TYR  14           HH       TYR  14  98.522   4.258  -1.070
   52    HA   PRO  15           HA       PRO  15 105.333   3.136   7.434
   53   1HB   PRO  15          1HB       PRO  15 104.407   0.522   8.085
   54   2HB   PRO  15          2HB       PRO  15 104.087   2.026   8.957
   55   1HG   PRO  15          1HG       PRO  15 102.408   0.593   6.978
   56   2HG   PRO  15          2HG       PRO  15 101.921   1.627   8.333
   57   1HD   PRO  15          1HD       PRO  15 101.740   2.475   5.806
   58   2HD   PRO  15          2HD       PRO  15 102.219   3.580   7.110
   59    H    TYR  16           H        TYR  16 106.979   1.381   7.961
   60    HA   TYR  16           HA       TYR  16 108.199   0.552   5.515
   61   1HB   TYR  16          1HB       TYR  16 109.753   1.257   7.072
   62   2HB   TYR  16          2HB       TYR  16 108.917   0.485   8.416
   63    HD1  TYR  16           HD1      TYR  16 111.008  -0.214   5.431
   64    HD2  TYR  16           HD2      TYR  16 109.547  -1.613   9.164
   65    HE1  TYR  16           HE1      TYR  16 112.566  -2.115   5.302
   66    HE2  TYR  16           HE2      TYR  16 111.099  -3.524   9.067
   67    HH   TYR  16           HH       TYR  16 112.343  -4.796   7.441
   68    H    GLU  17           H        GLU  17 107.142  -1.261   8.401
   69    HA   GLU  17           HA       GLU  17 107.596  -3.830   7.613
   70   1HB   GLU  17          1HB       GLU  17 105.088  -2.897   9.022
   71   2HB   GLU  17          2HB       GLU  17 105.769  -4.518   9.067
   72   1HG   GLU  17          1HG       GLU  17 106.707  -3.839  10.973
   73   2HG   GLU  17          2HG       GLU  17 107.876  -3.035   9.920
   74    H    MET  18           H        MET  18 104.667  -1.951   6.812
   75    HA   MET  18           HA       MET  18 103.450  -4.013   5.298
   76   1HB   MET  18          1HB       MET  18 103.043  -1.045   5.492
   77   2HB   MET  18          2HB       MET  18 102.175  -1.984   4.287
   78   1HG   MET  18          1HG       MET  18 101.653  -3.465   6.453
   79   2HG   MET  18          2HG       MET  18 101.850  -1.884   7.215
   80   1HE   MET  18          1HE       MET  18  98.832  -0.016   6.627
   81   2HE   MET  18          2HE       MET  18 100.206   0.410   5.606
   82   3HE   MET  18          3HE       MET  18 100.475  -0.149   7.256
   83    H    LEU  19           H        LEU  19 106.006  -1.857   4.620
   84    HA   LEU  19           HA       LEU  19 105.762  -2.202   1.716
   85   1HB   LEU  19          1HB       LEU  19 107.507  -0.444   3.431
   86   2HB   LEU  19          2HB       LEU  19 107.659  -0.543   1.686
   87    HG   LEU  19           HG       LEU  19 105.185   0.374   3.154
   88   1HD1  LEU  19          1HD1      LEU  19 107.382   1.923   1.794
   89   2HD1  LEU  19          2HD1      LEU  19 106.917   1.993   3.493
   90   3HD1  LEU  19          3HD1      LEU  19 105.822   2.608   2.254
   91   1HD2  LEU  19          1HD2      LEU  19 104.722  -0.625   0.988
   92   2HD2  LEU  19          2HD2      LEU  19 105.920   0.433   0.241
   93   3HD2  LEU  19          3HD2      LEU  19 104.459   1.120   0.951
   94    H    VAL  20           H        VAL  20 106.931  -4.054   4.068
   95    HA   VAL  20           HA       VAL  20 109.627  -4.506   3.232
   96    HB   VAL  20           HB       VAL  20 107.873  -6.433   4.761
   97   1HG1  VAL  20          1HG1      VAL  20 109.801  -7.593   4.296
   98   2HG1  VAL  20          2HG1      VAL  20 110.212  -6.819   5.830
   99   3HG1  VAL  20          3HG1      VAL  20 110.800  -6.138   4.313
  100   1HG2  VAL  20          1HG2      VAL  20 108.302  -5.347   6.738
  101   2HG2  VAL  20          2HG2      VAL  20 108.070  -3.991   5.634
  102   3HG2  VAL  20          3HG2      VAL  20 109.698  -4.489   6.090
  103    H    VAL  21           H        VAL  21 110.335  -6.703   2.353
  104    HA   VAL  21           HA       VAL  21 108.570  -7.331   0.100
  105    HB   VAL  21           HB       VAL  21 111.469  -8.051   0.530
  106   1HG1  VAL  21          1HG1      VAL  21 109.583  -9.065  -1.307
  107   2HG1  VAL  21          2HG1      VAL  21 111.322  -9.349  -1.258
  108   3HG1  VAL  21          3HG1      VAL  21 110.675  -8.013  -2.211
  109   1HG2  VAL  21          1HG2      VAL  21 111.015  -5.611   0.355
  110   2HG2  VAL  21          2HG2      VAL  21 110.314  -5.902  -1.239
  111   3HG2  VAL  21          3HG2      VAL  21 112.019  -6.248  -0.948
  112    H    THR  22           H        THR  22 110.884  -9.290   1.994
  113    HA   THR  22           HA       THR  22 109.009 -11.539   1.760
  114    HB   THR  22           HB       THR  22 111.993 -11.455   2.195
  115    HG1  THR  22           HG1      THR  22 110.315 -12.305   0.089
  116   1HG2  THR  22          1HG2      THR  22 111.008 -13.315   3.493
  117   2HG2  THR  22          2HG2      THR  22 112.041 -13.848   2.166
  118   3HG2  THR  22          3HG2      THR  22 110.286 -13.924   2.003
  119    H    ASN  23           H        ASN  23 111.471 -10.458   4.042
  120    HA   ASN  23           HA       ASN  23 111.037 -11.791   6.271
  121   1HB   ASN  23          1HB       ASN  23 111.284  -8.782   6.252
  122   2HB   ASN  23          2HB       ASN  23 111.752  -9.868   7.564
  123   1HD2  ASN  23          1HD2      ASN  23 112.500  -8.786   4.322
  124   2HD2  ASN  23          2HD2      ASN  23 114.124  -9.381   4.294
  125    H    LYS  24           H        LYS  24 108.951  -9.017   5.401
  126    HA   LYS  24           HA       LYS  24 107.140  -9.858   7.562
  127   1HB   LYS  24          1HB       LYS  24 107.953  -7.253   6.509
  128   2HB   LYS  24          2HB       LYS  24 106.216  -7.403   6.760
  129   1HG   LYS  24          1HG       LYS  24 107.354  -6.470   8.711
  130   2HG   LYS  24          2HG       LYS  24 106.582  -8.014   9.077
  131   1HD   LYS  24          1HD       LYS  24 108.759  -7.985  10.094
  132   2HD   LYS  24          2HD       LYS  24 108.780  -9.127   8.749
  133   1HE   LYS  24          1HE       LYS  24 110.529  -8.047   7.908
  134   2HE   LYS  24          2HE       LYS  24 109.509  -6.627   7.683
  135   1HZ   LYS  24          1HZ       LYS  24 111.572  -6.267   9.023
  136   2HZ   LYS  24          2HZ       LYS  24 110.893  -7.234  10.233
  137   3HZ   LYS  24          3HZ       LYS  24 110.139  -5.787   9.786
  138    H    GLY  25           H        GLY  25 107.241 -11.052   4.839
  139   1HA   GLY  25          1HA       GLY  25 104.853 -11.884   4.264
  140   2HA   GLY  25          2HA       GLY  25 104.623 -10.207   3.796
  141    H    ARG  26           H        ARG  26 104.304 -10.485   1.644
  142    HA   ARG  26           HA       ARG  26 106.658 -11.215   0.097
  143   1HB   ARG  26          1HB       ARG  26 104.967 -12.453  -1.498
  144   2HB   ARG  26          2HB       ARG  26 105.721 -13.293  -0.157
  145   1HG   ARG  26          1HG       ARG  26 102.965 -12.081  -0.075
  146   2HG   ARG  26          2HG       ARG  26 103.306 -13.767  -0.433
  147   1HD   ARG  26          1HD       ARG  26 103.553 -12.282   2.149
  148   2HD   ARG  26          2HD       ARG  26 102.782 -13.826   1.810
  149    HE   ARG  26           HE       ARG  26 105.705 -13.606   1.665
  150   1HH1  ARG  26          1HH1      ARG  26 102.854 -14.944   3.184
  151   2HH1  ARG  26          2HH1      ARG  26 103.741 -16.144   4.059
  152   1HH2  ARG  26          1HH2      ARG  26 106.860 -15.181   2.822
  153   2HH2  ARG  26          2HH2      ARG  26 106.009 -16.279   3.857
  154    H    THR  27           H        THR  27 103.286 -10.751  -0.933
  155    HA   THR  27           HA       THR  27 104.110  -8.268  -2.236
  156    HB   THR  27           HB       THR  27 102.516 -10.594  -3.170
  157    HG1  THR  27           HG1      THR  27 104.544 -10.416  -4.006
  158   1HG2  THR  27          1HG2      THR  27 100.855  -9.006  -3.533
  159   2HG2  THR  27          2HG2      THR  27 101.676  -9.191  -5.083
  160   3HG2  THR  27          3HG2      THR  27 102.010  -7.784  -4.067
  161    H    LYS  28           H        LYS  28 102.877  -8.960   0.396
  162    HA   LYS  28           HA       LYS  28 100.184  -8.111   0.409
  163   1HB   LYS  28          1HB       LYS  28 102.294  -8.430   2.516
  164   2HB   LYS  28          2HB       LYS  28 100.685  -7.841   2.913
  165   1HG   LYS  28          1HG       LYS  28 101.040 -10.292   3.263
  166   2HG   LYS  28          2HG       LYS  28  99.671  -9.871   2.235
  167   1HD   LYS  28          1HD       LYS  28 101.163 -10.261   0.246
  168   2HD   LYS  28          2HD       LYS  28 102.374 -10.889   1.365
  169   1HE   LYS  28          1HE       LYS  28 101.312 -12.831   0.734
  170   2HE   LYS  28          2HE       LYS  28 100.401 -12.404   2.181
  171   1HZ   LYS  28          1HZ       LYS  28  99.415 -11.310  -0.325
  172   2HZ   LYS  28          2HZ       LYS  28  98.561 -11.939   0.993
  173   3HZ   LYS  28          3HZ       LYS  28  99.260 -12.985  -0.137
  174    H    LEU  29           H        LEU  29 102.388  -6.279  -0.737
  175    HA   LEU  29           HA       LEU  29 102.680  -3.988   0.741
  176   1HB   LEU  29          1HB       LEU  29 102.910  -4.863  -2.031
  177   2HB   LEU  29          2HB       LEU  29 102.553  -3.156  -1.872
  178    HG   LEU  29           HG       LEU  29 104.549  -2.689  -0.907
  179   1HD1  LEU  29          1HD1      LEU  29 105.923  -4.966  -0.167
  180   2HD1  LEU  29          2HD1      LEU  29 104.271  -5.296   0.342
  181   3HD1  LEU  29          3HD1      LEU  29 105.100  -3.853   0.924
  182   1HD2  LEU  29          1HD2      LEU  29 104.677  -4.595  -3.052
  183   2HD2  LEU  29          2HD2      LEU  29 106.143  -4.604  -2.067
  184   3HD2  LEU  29          3HD2      LEU  29 105.582  -3.101  -2.797
  185    HA   PRO  30           HA       PRO  30  98.816  -1.854   0.787
  186   1HB   PRO  30          1HB       PRO  30 100.335   0.585   0.063
  187   2HB   PRO  30          2HB       PRO  30  99.333   0.267   1.484
  188   1HG   PRO  30          1HG       PRO  30 102.007   0.364   1.650
  189   2HG   PRO  30          2HG       PRO  30 101.051  -0.763   2.633
  190   1HD   PRO  30          1HD       PRO  30 102.680  -1.290   0.181
  191   2HD   PRO  30          2HD       PRO  30 102.449  -2.296   1.626
  192    HA   PRO  31           HA       PRO  31  97.435  -0.947  -3.325
  193   1HB   PRO  31          1HB       PRO  31  96.660   1.837  -2.838
  194   2HB   PRO  31          2HB       PRO  31  95.637   0.428  -3.147
  195   1HG   PRO  31          1HG       PRO  31  95.752   1.629  -0.730
  196   2HG   PRO  31          2HG       PRO  31  95.483  -0.114  -0.916
  197   1HD   PRO  31          1HD       PRO  31  97.999   1.354  -0.207
  198   2HD   PRO  31          2HD       PRO  31  97.347  -0.155   0.467
  199    H    GLY  32           H        GLY  32  99.112  -0.881  -4.752
  200   1HA   GLY  32          1HA       GLY  32 100.216   0.321  -6.465
  201   2HA   GLY  32          2HA       GLY  32 100.103   1.772  -5.485
  202    H    VAL  33           H        VAL  33 101.263  -1.191  -4.075
  203    HA   VAL  33           HA       VAL  33 104.020  -0.159  -4.175
  204    HB   VAL  33           HB       VAL  33 103.251  -1.754  -1.840
  205   1HG1  VAL  33          1HG1      VAL  33 105.130  -0.902  -1.024
  206   2HG1  VAL  33          2HG1      VAL  33 104.711   0.735  -1.523
  207   3HG1  VAL  33          3HG1      VAL  33 105.451  -0.378  -2.672
  208   1HG2  VAL  33          1HG2      VAL  33 102.070   0.879  -2.462
  209   2HG2  VAL  33          2HG2      VAL  33 102.690   0.645  -0.828
  210   3HG2  VAL  33          3HG2      VAL  33 101.452  -0.435  -1.463
  211    H    ASP  34           H        ASP  34 105.446  -1.440  -4.988
  212    HA   ASP  34           HA       ASP  34 104.985  -4.341  -4.956
  213   1HB   ASP  34          1HB       ASP  34 104.533  -3.125  -7.207
  214   2HB   ASP  34          2HB       ASP  34 106.290  -2.981  -7.299
  215    H    ARG  35           H        ARG  35 106.839  -5.625  -4.849
  216    HA   ARG  35           HA       ARG  35 108.941  -4.642  -3.310
  217   1HB   ARG  35          1HB       ARG  35 109.003  -7.104  -5.056
  218   2HB   ARG  35          2HB       ARG  35 109.998  -6.792  -3.641
  219   1HG   ARG  35          1HG       ARG  35 108.482  -7.938  -2.492
  220   2HG   ARG  35          2HG       ARG  35 107.434  -6.528  -2.672
  221   1HD   ARG  35          1HD       ARG  35 106.398  -8.709  -3.339
  222   2HD   ARG  35          2HD       ARG  35 106.375  -7.464  -4.586
  223    HE   ARG  35           HE       ARG  35 107.767  -8.759  -5.871
  224   1HH1  ARG  35          1HH1      ARG  35 107.680 -10.043  -2.626
  225   2HH1  ARG  35          2HH1      ARG  35 108.523 -11.496  -3.045
  226   1HH2  ARG  35          1HH2      ARG  35 108.878 -10.670  -6.422
  227   2HH2  ARG  35          2HH2      ARG  35 109.204 -11.852  -5.199
  228    H    MET  36           H        MET  36 108.462  -4.441  -6.696
  229    HA   MET  36           HA       MET  36 111.035  -4.505  -7.717
  230   1HB   MET  36          1HB       MET  36 108.556  -3.020  -8.507
  231   2HB   MET  36          2HB       MET  36 110.065  -2.723  -9.361
  232   1HG   MET  36          1HG       MET  36 109.019  -5.504  -9.002
  233   2HG   MET  36          2HG       MET  36 108.428  -4.463 -10.301
  234   1HE   MET  36          1HE       MET  36 110.170  -6.159 -12.718
  235   2HE   MET  36          2HE       MET  36 108.938  -6.473 -11.497
  236   3HE   MET  36          3HE       MET  36 110.471  -7.342 -11.444
  237    H    ARG  37           H        ARG  37 109.334  -1.798  -6.182
  238    HA   ARG  37           HA       ARG  37 111.929  -0.494  -5.786
  239   1HB   ARG  37          1HB       ARG  37 110.510   1.715  -6.200
  240   2HB   ARG  37          2HB       ARG  37 111.332   0.882  -7.509
  241   1HG   ARG  37          1HG       ARG  37 108.615  -0.078  -7.009
  242   2HG   ARG  37          2HG       ARG  37 108.709   1.612  -7.503
  243   1HD   ARG  37          1HD       ARG  37 110.187   0.848  -9.400
  244   2HD   ARG  37          2HD       ARG  37 109.748  -0.804  -8.965
  245    HE   ARG  37           HE       ARG  37 107.684  -0.472  -9.907
  246   1HH1  ARG  37          1HH1      ARG  37 109.263   2.615  -9.510
  247   2HH1  ARG  37          2HH1      ARG  37 108.071   3.482 -10.421
  248   1HH2  ARG  37          1HH2      ARG  37 106.117   0.666 -11.104
  249   2HH2  ARG  37          2HH2      ARG  37 106.285   2.375 -11.325
  250    H    LEU  38           H        LEU  38 110.387  -1.987  -3.946
  251    HA   LEU  38           HA       LEU  38 108.666  -0.561  -2.340
  252   1HB   LEU  38          1HB       LEU  38 110.343  -2.935  -2.081
  253   2HB   LEU  38          2HB       LEU  38 110.037  -2.123  -0.549
  254    HG   LEU  38           HG       LEU  38 107.912  -3.057  -2.486
  255   1HD1  LEU  38          1HD1      LEU  38 108.159  -5.047  -1.527
  256   2HD1  LEU  38          2HD1      LEU  38 107.671  -4.319   0.004
  257   3HD1  LEU  38          3HD1      LEU  38 109.379  -4.418  -0.420
  258   1HD2  LEU  38          1HD2      LEU  38 107.003  -1.230  -1.427
  259   2HD2  LEU  38          2HD2      LEU  38 107.854  -1.538   0.081
  260   3HD2  LEU  38          3HD2      LEU  38 106.498  -2.563  -0.389
  261    H    GLU  39           H        GLU  39 112.141  -0.303  -2.569
  262    HA   GLU  39           HA       GLU  39 112.426   1.169  -0.136
  263   1HB   GLU  39          1HB       GLU  39 114.705   1.408  -0.662
  264   2HB   GLU  39          2HB       GLU  39 114.253  -0.192  -1.232
  265   1HG   GLU  39          1HG       GLU  39 114.319   2.198  -3.044
  266   2HG   GLU  39          2HG       GLU  39 115.736   1.198  -2.738
  267    H    ARG  40           H        ARG  40 110.697   2.022  -2.627
  268    HA   ARG  40           HA       ARG  40 111.615   4.819  -2.624
  269   1HB   ARG  40          1HB       ARG  40 111.256   3.106  -4.780
  270   2HB   ARG  40          2HB       ARG  40 109.808   4.101  -4.785
  271   1HG   ARG  40          1HG       ARG  40 112.468   5.417  -4.523
  272   2HG   ARG  40          2HG       ARG  40 111.945   4.831  -6.103
  273   1HD   ARG  40          1HD       ARG  40 111.254   7.083  -5.993
  274   2HD   ARG  40          2HD       ARG  40 109.801   6.121  -5.721
  275    HE   ARG  40           HE       ARG  40 109.633   7.070  -3.657
  276   1HH1  ARG  40          1HH1      ARG  40 112.933   7.401  -4.745
  277   2HH1  ARG  40          2HH1      ARG  40 113.414   8.368  -3.391
  278   1HH2  ARG  40          1HH2      ARG  40 110.263   8.340  -1.876
  279   2HH2  ARG  40          2HH2      ARG  40 111.899   8.899  -1.760
  280    H    HIS  41           H        HIS  41 109.156   2.595  -1.890
  281    HA   HIS  41           HA       HIS  41 107.018   4.551  -1.810
  282   1HB   HIS  41          1HB       HIS  41 107.263   1.593  -1.482
  283   2HB   HIS  41          2HB       HIS  41 105.880   2.404  -0.769
  284    HD1  HIS  41           HD1      HIS  41 104.565   4.023  -2.629
  285    HD2  HIS  41           HD2      HIS  41 106.839   0.843  -4.033
  286    HE1  HIS  41           HE1      HIS  41 103.743   3.587  -4.964
  287    HE2  HIS  41           HE2      HIS  41 105.057   1.590  -5.753
  288    H    LEU  42           H        LEU  42 109.566   3.863   0.128
  289    HA   LEU  42           HA       LEU  42 108.237   3.862   2.676
  290   1HB   LEU  42          1HB       LEU  42 111.123   4.002   1.826
  291   2HB   LEU  42          2HB       LEU  42 110.614   4.042   3.509
  292    HG   LEU  42           HG       LEU  42 109.553   1.796   1.924
  293   1HD1  LEU  42          1HD1      LEU  42 111.446   0.724   1.423
  294   2HD1  LEU  42          2HD1      LEU  42 112.281   1.301   2.869
  295   3HD1  LEU  42          3HD1      LEU  42 112.158   2.339   1.441
  296   1HD2  LEU  42          1HD2      LEU  42 109.160   2.124   4.316
  297   2HD2  LEU  42          2HD2      LEU  42 110.895   1.990   4.604
  298   3HD2  LEU  42          3HD2      LEU  42 109.994   0.610   3.972
  299    H    SER  43           H        SER  43 108.087   5.528   4.092
  300    HA   SER  43           HA       SER  43 108.218   8.182   3.023
  301   1HB   SER  43          1HB       SER  43 107.897   7.841   5.948
  302   2HB   SER  43          2HB       SER  43 106.932   8.784   4.807
  303    HG   SER  43           HG       SER  43 105.572   7.194   5.140
  304    H    ALA  44           H        ALA  44 109.338   9.952   4.257
  305    HA   ALA  44           HA       ALA  44 112.067   9.669   4.195
  306   1HB   ALA  44          1HB       ALA  44 111.158  11.859   4.249
  307   2HB   ALA  44          2HB       ALA  44 112.135  11.692   5.708
  308   3HB   ALA  44          3HB       ALA  44 110.379  11.572   5.805
  309    H    GLU  45           H        GLU  45 109.984   9.425   7.064
  310    HA   GLU  45           HA       GLU  45 112.009   8.871   8.921
  311   1HB   GLU  45          1HB       GLU  45 109.991   7.480  10.004
  312   2HB   GLU  45          2HB       GLU  45 110.081   9.233  10.075
  313   1HG   GLU  45          1HG       GLU  45 108.323   9.515   8.689
  314   2HG   GLU  45          2HG       GLU  45 108.715   8.094   7.724
  315    H    ASP  46           H        ASP  46 109.818   6.591   7.300
  316    HA   ASP  46           HA       ASP  46 110.929   4.226   8.148
  317   1HB   ASP  46          1HB       ASP  46 109.739   4.811   5.429
  318   2HB   ASP  46          2HB       ASP  46 109.969   3.204   6.120
  319    H    PHE  47           H        PHE  47 111.713   5.896   5.074
  320    HA   PHE  47           HA       PHE  47 113.760   4.185   4.294
  321   1HB   PHE  47          1HB       PHE  47 112.572   6.146   3.044
  322   2HB   PHE  47          2HB       PHE  47 113.893   7.117   3.699
  323    HD1  PHE  47           HD1      PHE  47 113.175   4.081   1.703
  324    HD2  PHE  47           HD2      PHE  47 115.961   7.151   2.659
  325    HE1  PHE  47           HE1      PHE  47 114.643   3.329  -0.134
  326    HE2  PHE  47           HE2      PHE  47 117.427   6.405   0.828
  327    HZ   PHE  47           HZ       PHE  47 116.758   4.500  -0.575
  328    H    SER  48           H        SER  48 114.116   7.387   5.825
  329    HA   SER  48           HA       SER  48 116.880   7.183   6.243
  330   1HB   SER  48          1HB       SER  48 115.099   9.192   6.489
  331   2HB   SER  48          2HB       SER  48 115.313   8.782   8.191
  332    HG   SER  48           HG       SER  48 117.364   9.441   6.342
  333    H    ARG  49           H        ARG  49 114.322   5.585   7.825
  334    HA   ARG  49           HA       ARG  49 115.805   5.225  10.308
  335   1HB   ARG  49          1HB       ARG  49 113.401   5.630  10.461
  336   2HB   ARG  49          2HB       ARG  49 113.083   4.218   9.464
  337   1HG   ARG  49          1HG       ARG  49 112.681   3.740  11.807
  338   2HG   ARG  49          2HG       ARG  49 114.026   2.776  11.191
  339   1HD   ARG  49          1HD       ARG  49 115.412   3.632  12.705
  340   2HD   ARG  49          2HD       ARG  49 114.987   5.279  12.232
  341    HE   ARG  49           HE       ARG  49 113.558   5.398  14.024
  342   1HH1  ARG  49          1HH1      ARG  49 114.526   2.077  13.552
  343   2HH1  ARG  49          2HH1      ARG  49 113.839   1.535  15.047
  344   1HH2  ARG  49          1HH2      ARG  49 112.656   4.685  15.988
  345   2HH2  ARG  49          2HH2      ARG  49 112.779   3.015  16.430
  346    H    VAL  50           H        VAL  50 114.659   3.335   7.543
  347    HA   VAL  50           HA       VAL  50 115.835   0.895   8.575
  348    HB   VAL  50           HB       VAL  50 114.725   1.325   5.805
  349   1HG1  VAL  50          1HG1      VAL  50 114.606  -0.977   5.631
  350   2HG1  VAL  50          2HG1      VAL  50 114.677  -1.217   7.376
  351   3HG1  VAL  50          3HG1      VAL  50 116.124  -0.732   6.493
  352   1HG2  VAL  50          1HG2      VAL  50 113.198   1.852   7.901
  353   2HG2  VAL  50          2HG2      VAL  50 113.065   0.093   7.934
  354   3HG2  VAL  50          3HG2      VAL  50 112.582   0.986   6.491
  355    H    PHE  51           H        PHE  51 116.619   3.386   6.242
  356    HA   PHE  51           HA       PHE  51 118.999   1.868   5.430
  357   1HB   PHE  51          1HB       PHE  51 117.574   4.183   4.116
  358   2HB   PHE  51          2HB       PHE  51 119.091   3.498   3.538
  359    HD1  PHE  51           HD1      PHE  51 115.854   3.604   2.727
  360    HD2  PHE  51           HD2      PHE  51 118.806   0.693   3.651
  361    HE1  PHE  51           HE1      PHE  51 114.607   1.931   1.408
  362    HE2  PHE  51           HE2      PHE  51 117.572  -0.981   2.334
  363    HZ   PHE  51           HZ       PHE  51 115.477  -0.358   1.209
  364    H    ALA  52           H        ALA  52 117.969   4.999   6.698
  365    HA   ALA  52           HA       ALA  52 119.130   6.402   8.114
  366   1HB   ALA  52          1HB       ALA  52 121.728   5.104   7.387
  367   2HB   ALA  52          2HB       ALA  52 120.635   4.384   8.568
  368   3HB   ALA  52          3HB       ALA  52 121.301   5.992   8.849
  369    H    MET  53           H        MET  53 119.180   6.189   4.890
  370    HA   MET  53           HA       MET  53 120.665   8.717   4.617
  371   1HB   MET  53          1HB       MET  53 121.514   8.046   2.477
  372   2HB   MET  53          2HB       MET  53 121.973   6.836   3.667
  373   1HG   MET  53          1HG       MET  53 119.468   6.160   2.504
  374   2HG   MET  53          2HG       MET  53 120.642   6.504   1.232
  375   1HE   MET  53          1HE       MET  53 119.140   4.049   1.652
  376   2HE   MET  53          2HE       MET  53 120.229   2.658   1.641
  377   3HE   MET  53          3HE       MET  53 120.397   3.929   0.424
  378    H    SER  54           H        SER  54 120.081   9.803   2.514
  379    HA   SER  54           HA       SER  54 117.285  10.291   2.537
  380   1HB   SER  54          1HB       SER  54 119.598  11.263   0.876
  381   2HB   SER  54          2HB       SER  54 117.937  11.736   0.492
  382    HG   SER  54           HG       SER  54 119.087  13.200   1.918
  383    HA   PRO  55           HA       PRO  55 115.737   7.447  -0.504
  384   1HB   PRO  55          1HB       PRO  55 114.236   9.775  -1.582
  385   2HB   PRO  55          2HB       PRO  55 113.631   8.205  -1.046
  386   1HG   PRO  55          1HG       PRO  55 113.274  10.400   0.436
  387   2HG   PRO  55          2HG       PRO  55 113.604   8.825   1.184
  388   1HD   PRO  55          1HD       PRO  55 115.424  11.161   0.797
  389   2HD   PRO  55          2HD       PRO  55 115.340  10.002   2.143
  390    H    GLU  56           H        GLU  56 117.077  10.553  -1.249
  391    HA   GLU  56           HA       GLU  56 117.542   9.894  -4.040
  392   1HB   GLU  56          1HB       GLU  56 116.964  12.137  -3.856
  393   2HB   GLU  56          2HB       GLU  56 117.839  12.345  -2.343
  394   1HG   GLU  56          1HG       GLU  56 119.866  12.639  -3.397
  395   2HG   GLU  56          2HG       GLU  56 119.343  11.805  -4.865
  396    H    GLU  57           H        GLU  57 119.063   9.411  -1.056
  397    HA   GLU  57           HA       GLU  57 121.770   9.676  -1.939
  398   1HB   GLU  57          1HB       GLU  57 120.411   8.892   0.578
  399   2HB   GLU  57          2HB       GLU  57 121.908   8.030   0.254
  400   1HG   GLU  57          1HG       GLU  57 122.274  10.819  -0.261
  401   2HG   GLU  57          2HG       GLU  57 121.592  10.583   1.347
  402    H    PHE  58           H        PHE  58 119.470   7.027  -1.471
  403    HA   PHE  58           HA       PHE  58 120.951   4.774  -1.974
  404   1HB   PHE  58          1HB       PHE  58 118.277   5.355  -1.857
  405   2HB   PHE  58          2HB       PHE  58 118.451   4.938  -3.560
  406    HD1  PHE  58           HD1      PHE  58 119.154   2.670  -4.209
  407    HD2  PHE  58           HD2      PHE  58 118.428   3.719  -0.158
  408    HE1  PHE  58           HE1      PHE  58 118.999   0.284  -3.620
  409    HE2  PHE  58           HE2      PHE  58 118.290   1.343   0.449
  410    HZ   PHE  58           HZ       PHE  58 118.573  -0.384  -1.288
  411    H    GLY  59           H        GLY  59 119.263   6.550  -4.584
  412   1HA   GLY  59          1HA       GLY  59 120.435   5.255  -6.732
  413   2HA   GLY  59          2HA       GLY  59 119.832   6.905  -6.781
  414    H    LYS  60           H        LYS  60 121.775   7.742  -4.694
  415    HA   LYS  60           HA       LYS  60 124.010   8.196  -6.501
  416   1HB   LYS  60          1HB       LYS  60 123.425   9.351  -3.767
  417   2HB   LYS  60          2HB       LYS  60 124.743   9.849  -4.826
  418   1HG   LYS  60          1HG       LYS  60 122.311   9.999  -6.294
  419   2HG   LYS  60          2HG       LYS  60 122.084  10.813  -4.741
  420   1HD   LYS  60          1HD       LYS  60 124.396  11.895  -5.302
  421   2HD   LYS  60          2HD       LYS  60 123.988  11.441  -6.958
  422   1HE   LYS  60          1HE       LYS  60 122.041  12.778  -6.948
  423   2HE   LYS  60          2HE       LYS  60 122.105  12.989  -5.199
  424   1HZ   LYS  60          1HZ       LYS  60 122.856  14.947  -6.499
  425   2HZ   LYS  60          2HZ       LYS  60 124.164  14.036  -7.060
  426   3HZ   LYS  60          3HZ       LYS  60 124.014  14.370  -5.409
  427    H    LEU  61           H        LEU  61 123.257   5.847  -4.326
  428    HA   LEU  61           HA       LEU  61 125.785   5.610  -3.004
  429   1HB   LEU  61          1HB       LEU  61 123.410   3.743  -3.184
  430   2HB   LEU  61          2HB       LEU  61 124.774   3.523  -2.114
  431    HG   LEU  61           HG       LEU  61 122.676   5.647  -1.977
  432   1HD1  LEU  61          1HD1      LEU  61 122.078   4.690   0.046
  433   2HD1  LEU  61          2HD1      LEU  61 123.593   3.799   0.183
  434   3HD1  LEU  61          3HD1      LEU  61 122.383   3.308  -1.005
  435   1HD2  LEU  61          1HD2      LEU  61 124.724   6.801  -1.558
  436   2HD2  LEU  61          2HD2      LEU  61 125.309   5.494  -0.529
  437   3HD2  LEU  61          3HD2      LEU  61 123.955   6.492  -0.001
  438    H    ALA  62           H        ALA  62 125.603   2.614  -3.371
  439    HA   ALA  62           HA       ALA  62 126.720   2.424  -6.081
  440   1HB   ALA  62          1HB       ALA  62 127.820   0.897  -3.738
  441   2HB   ALA  62          2HB       ALA  62 128.457   2.460  -4.244
  442   3HB   ALA  62          3HB       ALA  62 128.519   1.082  -5.345
  443    H    LEU  63           H        LEU  63 127.050  -0.078  -6.576
  444    HA   LEU  63           HA       LEU  63 124.405  -1.197  -6.498
  445   1HB   LEU  63          1HB       LEU  63 126.143  -1.301  -8.403
  446   2HB   LEU  63          2HB       LEU  63 126.843  -2.629  -7.496
  447    HG   LEU  63           HG       LEU  63 123.939  -2.825  -8.000
  448   1HD1  LEU  63          1HD1      LEU  63 125.266  -1.936 -10.127
  449   2HD1  LEU  63          2HD1      LEU  63 123.966  -3.123 -10.244
  450   3HD1  LEU  63          3HD1      LEU  63 125.648  -3.652 -10.269
  451   1HD2  LEU  63          1HD2      LEU  63 125.840  -4.970  -8.687
  452   2HD2  LEU  63          2HD2      LEU  63 124.327  -5.037  -7.784
  453   3HD2  LEU  63          3HD2      LEU  63 125.802  -4.481  -6.993
  454    H    TRP  64           H        TRP  64 127.312  -1.600  -4.687
  455    HA   TRP  64           HA       TRP  64 126.510  -4.150  -3.579
  456   1HB   TRP  64          1HB       TRP  64 128.630  -3.781  -2.240
  457   2HB   TRP  64          2HB       TRP  64 128.861  -3.852  -3.993
  458    HD1  TRP  64           HD1      TRP  64 129.844  -1.711  -5.140
  459    HE1  TRP  64           HE1      TRP  64 130.600   0.586  -4.274
  460    HE3  TRP  64           HE3      TRP  64 127.970  -2.037  -0.519
  461    HZ2  TRP  64           HZ2      TRP  64 130.412   2.059  -1.824
  462    HZ3  TRP  64           HZ3      TRP  64 128.295  -0.145   1.061
  463    HH2  TRP  64           HH2      TRP  64 129.477   1.853   0.407
  464    H    LYS  65           H        LYS  65 126.645  -0.762  -2.882
  465    HA   LYS  65           HA       LYS  65 125.930  -0.954  -0.123
  466   1HB   LYS  65          1HB       LYS  65 127.020   1.032  -1.391
  467   2HB   LYS  65          2HB       LYS  65 125.367   1.444  -1.843
  468   1HG   LYS  65          1HG       LYS  65 124.745   1.891   0.356
  469   2HG   LYS  65          2HG       LYS  65 126.128   1.015   1.022
  470   1HD   LYS  65          1HD       LYS  65 127.598   2.762  -0.050
  471   2HD   LYS  65          2HD       LYS  65 126.124   3.678  -0.388
  472   1HE   LYS  65          1HE       LYS  65 127.239   4.425   1.676
  473   2HE   LYS  65          2HE       LYS  65 125.615   3.790   1.979
  474   1HZ   LYS  65          1HZ       LYS  65 126.436   1.942   3.020
  475   2HZ   LYS  65          2HZ       LYS  65 127.613   3.073   3.463
  476   3HZ   LYS  65          3HZ       LYS  65 127.919   1.982   2.207
  477    H    ARG  66           H        ARG  66 124.085   0.262  -2.929
  478    HA   ARG  66           HA       ARG  66 121.586   0.446  -1.833
  479   1HB   ARG  66          1HB       ARG  66 122.330  -0.535  -4.591
  480   2HB   ARG  66          2HB       ARG  66 120.717  -0.019  -4.121
  481   1HG   ARG  66          1HG       ARG  66 121.381   2.202  -3.849
  482   2HG   ARG  66          2HG       ARG  66 123.090   1.762  -3.810
  483   1HD   ARG  66          1HD       ARG  66 121.952   2.821  -5.963
  484   2HD   ARG  66          2HD       ARG  66 123.252   1.630  -6.073
  485    HE   ARG  66           HE       ARG  66 120.581   0.523  -6.068
  486   1HH1  ARG  66          1HH1      ARG  66 123.209   1.737  -8.021
  487   2HH1  ARG  66          2HH1      ARG  66 122.706   0.890  -9.444
  488   1HH2  ARG  66          1HH2      ARG  66 119.919  -0.588  -7.942
  489   2HH2  ARG  66          2HH2      ARG  66 120.838  -0.428  -9.401
  490    H    ASN  67           H        ASN  67 123.185  -2.396  -3.094
  491    HA   ASN  67           HA       ASN  67 121.035  -4.199  -2.849
  492   1HB   ASN  67          1HB       ASN  67 123.947  -4.375  -3.263
  493   2HB   ASN  67          2HB       ASN  67 123.233  -5.790  -2.490
  494   1HD2  ASN  67          1HD2      ASN  67 122.978  -3.657  -5.284
  495   2HD2  ASN  67          2HD2      ASN  67 122.309  -4.838  -6.354
  496    H    GLU  68           H        GLU  68 123.915  -4.099  -0.745
  497    HA   GLU  68           HA       GLU  68 123.039  -5.663   1.294
  498   1HB   GLU  68          1HB       GLU  68 124.642  -4.564   2.734
  499   2HB   GLU  68          2HB       GLU  68 125.318  -4.736   1.121
  500   1HG   GLU  68          1HG       GLU  68 125.393  -2.516   0.762
  501   2HG   GLU  68          2HG       GLU  68 123.932  -2.197   1.692
  502    H    LEU  69           H        LEU  69 122.188  -2.286   0.736
  503    HA   LEU  69           HA       LEU  69 120.963  -1.835   3.243
  504   1HB   LEU  69          1HB       LEU  69 120.197  -0.560   0.626
  505   2HB   LEU  69          2HB       LEU  69 119.923   0.072   2.237
  506    HG   LEU  69           HG       LEU  69 122.689  -0.442   1.355
  507   1HD1  LEU  69          1HD1      LEU  69 122.041   2.269   0.862
  508   2HD1  LEU  69          2HD1      LEU  69 120.912   1.254  -0.036
  509   3HD1  LEU  69          3HD1      LEU  69 122.648   1.062  -0.267
  510   1HD2  LEU  69          1HD2      LEU  69 121.457   1.663   3.117
  511   2HD2  LEU  69          2HD2      LEU  69 123.182   1.395   2.861
  512   3HD2  LEU  69          3HD2      LEU  69 122.213   0.172   3.682
  513    H    LYS  70           H        LYS  70 119.453  -2.320   0.088
  514    HA   LYS  70           HA       LYS  70 116.854  -2.884   1.016
  515   1HB   LYS  70          1HB       LYS  70 118.382  -3.389  -1.495
  516   2HB   LYS  70          2HB       LYS  70 116.866  -4.248  -1.266
  517   1HG   LYS  70          1HG       LYS  70 115.607  -2.361  -1.454
  518   2HG   LYS  70          2HG       LYS  70 116.877  -1.319  -0.801
  519   1HD   LYS  70          1HD       LYS  70 116.558  -0.842  -3.150
  520   2HD   LYS  70          2HD       LYS  70 118.136  -1.592  -2.907
  521   1HE   LYS  70          1HE       LYS  70 117.560  -3.481  -4.022
  522   2HE   LYS  70          2HE       LYS  70 115.883  -3.414  -3.487
  523   1HZ   LYS  70          1HZ       LYS  70 116.731  -1.324  -5.321
  524   2HZ   LYS  70          2HZ       LYS  70 115.276  -2.182  -5.256
  525   3HZ   LYS  70          3HZ       LYS  70 116.639  -2.884  -5.969
  526    H    LYS  71           H        LYS  71 119.740  -4.738   0.997
  527    HA   LYS  71           HA       LYS  71 118.438  -7.299   1.270
  528   1HB   LYS  71          1HB       LYS  71 121.296  -6.339   1.259
  529   2HB   LYS  71          2HB       LYS  71 120.891  -7.996   1.719
  530   1HG   LYS  71          1HG       LYS  71 119.951  -8.429  -0.427
  531   2HG   LYS  71          2HG       LYS  71 120.071  -6.726  -0.880
  532   1HD   LYS  71          1HD       LYS  71 122.405  -6.822  -1.053
  533   2HD   LYS  71          2HD       LYS  71 122.502  -8.320  -0.127
  534   1HE   LYS  71          1HE       LYS  71 121.222  -9.407  -2.030
  535   2HE   LYS  71          2HE       LYS  71 121.538  -7.936  -2.948
  536   1HZ   LYS  71          1HZ       LYS  71 123.984  -8.510  -2.084
  537   2HZ   LYS  71          2HZ       LYS  71 123.366  -9.070  -3.554
  538   3HZ   LYS  71          3HZ       LYS  71 123.350 -10.074  -2.194
  539    H    LYS  72           H        LYS  72 119.811  -4.851   3.334
  540    HA   LYS  72           HA       LYS  72 119.589  -6.563   5.680
  541   1HB   LYS  72          1HB       LYS  72 121.641  -5.318   5.577
  542   2HB   LYS  72          2HB       LYS  72 120.779  -3.820   5.266
  543   1HG   LYS  72          1HG       LYS  72 119.847  -4.934   7.725
  544   2HG   LYS  72          2HG       LYS  72 121.613  -4.878   7.741
  545   1HD   LYS  72          1HD       LYS  72 121.374  -2.737   8.350
  546   2HD   LYS  72          2HD       LYS  72 120.934  -2.437   6.669
  547   1HE   LYS  72          1HE       LYS  72 119.166  -1.478   7.801
  548   2HE   LYS  72          2HE       LYS  72 118.543  -3.091   7.459
  549   1HZ   LYS  72          1HZ       LYS  72 118.087  -3.060   9.644
  550   2HZ   LYS  72          2HZ       LYS  72 119.244  -1.878   9.997
  551   3HZ   LYS  72          3HZ       LYS  72 119.714  -3.493   9.817
  552    H    ALA  73           H        ALA  73 118.048  -4.017   4.006
  553    HA   ALA  73           HA       ALA  73 116.444  -3.052   6.180
  554   1HB   ALA  73          1HB       ALA  73 116.738  -2.495   3.286
  555   2HB   ALA  73          2HB       ALA  73 116.715  -1.384   4.655
  556   3HB   ALA  73          3HB       ALA  73 115.206  -2.064   4.043
  557    H    GLU  74           H        GLU  74 116.376  -5.928   4.625
  558    HA   GLU  74           HA       GLU  74 114.825  -7.595   4.548
  559   1HB   GLU  74          1HB       GLU  74 112.807  -5.680   5.710
  560   2HB   GLU  74          2HB       GLU  74 112.795  -7.432   5.788
  561   1HG   GLU  74          1HG       GLU  74 114.795  -5.643   7.147
  562   2HG   GLU  74          2HG       GLU  74 113.408  -6.409   7.921
  563    H    LEU  75           H        LEU  75 115.068  -5.231   2.573
  564    HA   LEU  75           HA       LEU  75 112.828  -6.090   0.950
  565   1HB   LEU  75          1HB       LEU  75 112.924  -3.403   0.339
  566   2HB   LEU  75          2HB       LEU  75 111.665  -4.226   1.249
  567    HG   LEU  75           HG       LEU  75 113.613  -3.634   3.126
  568   1HD1  LEU  75          1HD1      LEU  75 113.732  -1.091   2.761
  569   2HD1  LEU  75          2HD1      LEU  75 113.423  -1.475   1.063
  570   3HD1  LEU  75          3HD1      LEU  75 114.854  -2.121   1.870
  571   1HD2  LEU  75          1HD2      LEU  75 111.842  -1.667   3.507
  572   2HD2  LEU  75          2HD2      LEU  75 111.513  -3.351   3.911
  573   3HD2  LEU  75          3HD2      LEU  75 110.923  -2.678   2.390
  574    H    PHE  76           H        PHE  76 114.759  -7.229   0.062
  575    HA   PHE  76           HA       PHE  76 115.900  -5.570  -2.089
  576   1HB   PHE  76          1HB       PHE  76 117.876  -5.960  -1.005
  577   2HB   PHE  76          2HB       PHE  76 117.286  -7.428  -0.226
  578    HD1  PHE  76           HD1      PHE  76 118.632  -6.026  -3.362
  579    HD2  PHE  76           HD2      PHE  76 117.701  -9.557  -1.178
  580    HE1  PHE  76           HE1      PHE  76 119.867  -7.367  -5.013
  581    HE2  PHE  76           HE2      PHE  76 118.938 -10.906  -2.824
  582    HZ   PHE  76           HZ       PHE  76 120.022  -9.811  -4.745
  Start of MODEL   16
    1    HT1  PRO   9           HT1      PRO   9 100.350  13.256  -5.026
    2    HT2  PRO   9           HT2      PRO   9 101.938  12.840  -4.919
    3    HA   PRO   9           HA       PRO   9 100.400  13.655  -7.066
    4   1HB   PRO   9          1HB       PRO   9 102.964  14.654  -7.725
    5   2HB   PRO   9          2HB       PRO   9 101.457  15.569  -7.589
    6   1HG   PRO   9          1HG       PRO   9 103.617  15.172  -5.587
    7   2HG   PRO   9          2HG       PRO   9 102.558  16.571  -5.840
    8   1HD   PRO   9          1HD       PRO   9 102.176  14.941  -3.766
    9   2HD   PRO   9          2HD       PRO   9 100.792  15.603  -4.658
   10    H    GLY  10           H        GLY  10 103.747  12.842  -6.105
   11   1HA   GLY  10          1HA       GLY  10 104.290  11.124  -8.247
   12   2HA   GLY  10          2HA       GLY  10 105.106  11.087  -6.692
   13    H    LEU  11           H        LEU  11 104.810   9.421  -5.415
   14    HA   LEU  11           HA       LEU  11 102.659   7.536  -6.094
   15   1HB   LEU  11          1HB       LEU  11 104.205   5.796  -5.146
   16   2HB   LEU  11          2HB       LEU  11 104.667   6.481  -6.690
   17    HG   LEU  11           HG       LEU  11 105.971   8.076  -4.811
   18   1HD1  LEU  11          1HD1      LEU  11 106.790   5.351  -4.049
   19   2HD1  LEU  11          2HD1      LEU  11 105.272   5.928  -3.361
   20   3HD1  LEU  11          3HD1      LEU  11 106.760   6.838  -3.102
   21   1HD2  LEU  11          1HD2      LEU  11 106.609   6.916  -7.096
   22   2HD2  LEU  11          2HD2      LEU  11 107.369   5.747  -6.015
   23   3HD2  LEU  11          3HD2      LEU  11 107.843   7.445  -5.952
   24    H    GLN  12           H        GLN  12 102.015   6.112  -4.284
   25    HA   GLN  12           HA       GLN  12 101.406   7.702  -1.973
   26   1HB   GLN  12          1HB       GLN  12 100.565   5.196  -1.279
   27   2HB   GLN  12          2HB       GLN  12  99.601   6.370  -2.163
   28   1HG   GLN  12          1HG       GLN  12  99.542   4.132  -3.164
   29   2HG   GLN  12          2HG       GLN  12 100.193   5.348  -4.259
   30   1HE2  GLN  12          1HE2      GLN  12 101.272   3.851  -5.504
   31   2HE2  GLN  12          2HE2      GLN  12 102.681   3.019  -4.952
   32    H    ILE  13           H        ILE  13 101.946   7.254   0.191
   33    HA   ILE  13           HA       ILE  13 104.366   5.617   0.528
   34    HB   ILE  13           HB       ILE  13 103.804   7.995   2.254
   35   1HG1  ILE  13          1HG1      ILE  13 103.777   8.696  -0.172
   36   2HG1  ILE  13          2HG1      ILE  13 105.045   9.434   0.802
   37   1HG2  ILE  13          1HG2      ILE  13 106.159   6.295   1.559
   38   2HG2  ILE  13          2HG2      ILE  13 105.510   6.712   3.146
   39   3HG2  ILE  13          3HG2      ILE  13 106.385   7.920   2.203
   40   1HD1  ILE  13          1HD1      ILE  13 105.939   8.810  -1.330
   41   2HD1  ILE  13          2HD1      ILE  13 105.363   7.155  -1.131
   42   3HD1  ILE  13          3HD1      ILE  13 106.640   7.777  -0.084
   43    H    TYR  14           H        TYR  14 104.129   3.981   1.903
   44    HA   TYR  14           HA       TYR  14 102.149   4.222   4.073
   45   1HB   TYR  14          1HB       TYR  14 102.795   1.655   2.617
   46   2HB   TYR  14          2HB       TYR  14 101.498   1.937   3.773
   47    HD1  TYR  14           HD1      TYR  14 102.414   1.920   0.327
   48    HD2  TYR  14           HD2      TYR  14  99.657   3.584   3.105
   49    HE1  TYR  14           HE1      TYR  14 100.882   2.440  -1.517
   50    HE2  TYR  14           HE2      TYR  14  98.116   4.116   1.268
   51    HH   TYR  14           HH       TYR  14  98.370   4.556  -1.276
   52    HA   PRO  15           HA       PRO  15 104.974   2.887   7.199
   53   1HB   PRO  15          1HB       PRO  15 103.694   0.177   7.188
   54   2HB   PRO  15          2HB       PRO  15 104.109   1.219   8.559
   55   1HG   PRO  15          1HG       PRO  15 101.597   1.058   7.725
   56   2HG   PRO  15          2HG       PRO  15 102.283   2.620   8.212
   57   1HD   PRO  15          1HD       PRO  15 101.696   1.574   5.488
   58   2HD   PRO  15          2HD       PRO  15 101.614   3.240   6.098
   59    H    TYR  16           H        TYR  16 106.700   1.243   7.694
   60    HA   TYR  16           HA       TYR  16 108.021   0.523   5.240
   61   1HB   TYR  16          1HB       TYR  16 109.589   1.325   6.702
   62   2HB   TYR  16          2HB       TYR  16 108.756   0.683   8.117
   63    HD1  TYR  16           HD1      TYR  16 111.081  -0.113   5.378
   64    HD2  TYR  16           HD2      TYR  16 109.235  -1.510   8.945
   65    HE1  TYR  16           HE1      TYR  16 112.664  -1.989   5.448
   66    HE2  TYR  16           HE2      TYR  16 110.814  -3.393   9.033
   67    HH   TYR  16           HH       TYR  16 113.232  -3.806   8.107
   68    H    GLU  17           H        GLU  17 107.320  -1.346   8.202
   69    HA   GLU  17           HA       GLU  17 107.923  -3.864   7.356
   70   1HB   GLU  17          1HB       GLU  17 106.110  -4.655   8.923
   71   2HB   GLU  17          2HB       GLU  17 107.281  -3.539   9.613
   72   1HG   GLU  17          1HG       GLU  17 105.069  -2.080   8.521
   73   2HG   GLU  17          2HG       GLU  17 104.489  -3.331   9.625
   74    H    MET  18           H        MET  18 105.239  -1.938   6.298
   75    HA   MET  18           HA       MET  18 103.708  -4.124   5.254
   76   1HB   MET  18          1HB       MET  18 103.362  -1.306   5.645
   77   2HB   MET  18          2HB       MET  18 102.943  -1.712   3.988
   78   1HG   MET  18          1HG       MET  18 101.179  -3.034   4.609
   79   2HG   MET  18          2HG       MET  18 101.866  -3.389   6.196
   80   1HE   MET  18          1HE       MET  18  99.716  -2.365   8.090
   81   2HE   MET  18          2HE       MET  18  99.419  -3.286   6.616
   82   3HE   MET  18          3HE       MET  18  98.490  -1.824   6.943
   83    H    LEU  19           H        LEU  19 106.218  -2.033   4.008
   84    HA   LEU  19           HA       LEU  19 105.748  -3.026   1.277
   85   1HB   LEU  19          1HB       LEU  19 107.957  -1.138   1.698
   86   2HB   LEU  19          2HB       LEU  19 106.694  -1.140   0.485
   87    HG   LEU  19           HG       LEU  19 106.613   0.015   3.253
   88   1HD1  LEU  19          1HD1      LEU  19 106.698   2.017   2.255
   89   2HD1  LEU  19          2HD1      LEU  19 105.629   1.519   0.942
   90   3HD1  LEU  19          3HD1      LEU  19 107.346   1.118   0.883
   91   1HD2  LEU  19          1HD2      LEU  19 104.460  -1.220   1.852
   92   2HD2  LEU  19          2HD2      LEU  19 104.183   0.519   1.924
   93   3HD2  LEU  19          3HD2      LEU  19 104.446  -0.395   3.409
   94    H    VAL  20           H        VAL  20 107.279  -4.245   3.803
   95    HA   VAL  20           HA       VAL  20 109.943  -4.581   3.027
   96    HB   VAL  20           HB       VAL  20 108.276  -6.548   4.603
   97   1HG1  VAL  20          1HG1      VAL  20 110.641  -6.731   5.717
   98   2HG1  VAL  20          2HG1      VAL  20 111.190  -6.165   4.140
   99   3HG1  VAL  20          3HG1      VAL  20 110.260  -7.660   4.265
  100   1HG2  VAL  20          1HG2      VAL  20 109.912  -4.233   5.611
  101   2HG2  VAL  20          2HG2      VAL  20 108.917  -5.332   6.562
  102   3HG2  VAL  20          3HG2      VAL  20 108.160  -4.209   5.435
  103    H    VAL  21           H        VAL  21 110.968  -6.634   2.246
  104    HA   VAL  21           HA       VAL  21 109.549  -7.488  -0.135
  105    HB   VAL  21           HB       VAL  21 112.390  -7.971   0.747
  106   1HG1  VAL  21          1HG1      VAL  21 111.125  -8.532  -1.933
  107   2HG1  VAL  21          2HG1      VAL  21 111.584  -9.754  -0.749
  108   3HG1  VAL  21          3HG1      VAL  21 112.821  -8.753  -1.508
  109   1HG2  VAL  21          1HG2      VAL  21 111.831  -5.632   0.265
  110   2HG2  VAL  21          2HG2      VAL  21 111.250  -6.106  -1.330
  111   3HG2  VAL  21          3HG2      VAL  21 112.953  -6.298  -0.920
  112    H    THR  22           H        THR  22 111.550  -9.368   2.193
  113    HA   THR  22           HA       THR  22 109.804 -11.648   1.575
  114    HB   THR  22           HB       THR  22 112.616 -11.573   2.673
  115    HG1  THR  22           HG1      THR  22 111.492 -12.250   0.173
  116   1HG2  THR  22          1HG2      THR  22 111.288 -13.505   3.543
  117   2HG2  THR  22          2HG2      THR  22 112.693 -13.937   2.570
  118   3HG2  THR  22          3HG2      THR  22 111.076 -14.025   1.872
  119    H    ASN  23           H        ASN  23 111.855 -11.126   4.369
  120    HA   ASN  23           HA       ASN  23 110.637 -12.440   6.300
  121   1HB   ASN  23          1HB       ASN  23 111.450 -10.713   7.912
  122   2HB   ASN  23          2HB       ASN  23 112.651 -11.216   6.718
  123   1HD2  ASN  23          1HD2      ASN  23 113.071  -9.795   4.924
  124   2HD2  ASN  23          2HD2      ASN  23 112.787  -8.103   5.089
  125    H    LYS  24           H        LYS  24 109.593  -9.106   5.480
  126    HA   LYS  24           HA       LYS  24 107.259  -9.554   7.207
  127   1HB   LYS  24          1HB       LYS  24 108.930  -7.233   6.597
  128   2HB   LYS  24          2HB       LYS  24 107.203  -6.886   6.609
  129   1HG   LYS  24          1HG       LYS  24 107.468  -6.614   8.807
  130   2HG   LYS  24          2HG       LYS  24 107.496  -8.377   8.876
  131   1HD   LYS  24          1HD       LYS  24 110.051  -6.991   8.282
  132   2HD   LYS  24          2HD       LYS  24 109.428  -6.874   9.928
  133   1HE   LYS  24          1HE       LYS  24 109.501  -9.546   8.619
  134   2HE   LYS  24          2HE       LYS  24 111.016  -8.849   9.191
  135   1HZ   LYS  24          1HZ       LYS  24 108.634  -9.036  10.934
  136   2HZ   LYS  24          2HZ       LYS  24 110.249  -8.812  11.382
  137   3HZ   LYS  24          3HZ       LYS  24 109.736 -10.313  10.794
  138    H    GLY  25           H        GLY  25 107.429 -10.502   4.375
  139   1HA   GLY  25          1HA       GLY  25 105.323 -10.764   3.159
  140   2HA   GLY  25          2HA       GLY  25 105.027  -9.056   3.433
  141    H    ARG  26           H        ARG  26 105.042 -10.545   0.939
  142    HA   ARG  26           HA       ARG  26 107.308  -9.288  -0.444
  143   1HB   ARG  26          1HB       ARG  26 106.494 -10.939  -2.327
  144   2HB   ARG  26          2HB       ARG  26 107.521 -11.501  -1.019
  145   1HG   ARG  26          1HG       ARG  26 104.521 -11.758  -0.990
  146   2HG   ARG  26          2HG       ARG  26 105.601 -13.000  -1.615
  147   1HD   ARG  26          1HD       ARG  26 106.569 -12.272   0.935
  148   2HD   ARG  26          2HD       ARG  26 104.820 -12.464   1.085
  149    HE   ARG  26           HE       ARG  26 105.937 -14.634  -0.352
  150   1HH1  ARG  26          1HH1      ARG  26 105.675 -13.338   2.878
  151   2HH1  ARG  26          2HH1      ARG  26 105.814 -14.884   3.645
  152   1HH2  ARG  26          1HH2      ARG  26 106.119 -16.669   0.656
  153   2HH2  ARG  26          2HH2      ARG  26 106.066 -16.776   2.383
  154    H    THR  27           H        THR  27 104.374 -10.391  -2.044
  155    HA   THR  27           HA       THR  27 103.996  -7.727  -3.119
  156    HB   THR  27           HB       THR  27 103.751 -10.269  -4.141
  157    HG1  THR  27           HG1      THR  27 104.034  -8.171  -5.211
  158   1HG2  THR  27          1HG2      THR  27 101.586 -10.815  -4.660
  159   2HG2  THR  27          2HG2      THR  27 100.975  -9.201  -4.294
  160   3HG2  THR  27          3HG2      THR  27 101.442 -10.288  -2.985
  161    H    LYS  28           H        LYS  28 103.214  -9.080  -0.387
  162    HA   LYS  28           HA       LYS  28 100.408  -8.607  -0.204
  163   1HB   LYS  28          1HB       LYS  28 102.522  -9.320   1.823
  164   2HB   LYS  28          2HB       LYS  28 100.817  -9.155   2.222
  165   1HG   LYS  28          1HG       LYS  28 101.399 -11.481   1.887
  166   2HG   LYS  28          2HG       LYS  28 100.268 -10.940   0.646
  167   1HD   LYS  28          1HD       LYS  28 101.972 -10.833  -0.997
  168   2HD   LYS  28          2HD       LYS  28 103.246 -10.963   0.216
  169   1HE   LYS  28          1HE       LYS  28 101.287 -13.110  -0.583
  170   2HE   LYS  28          2HE       LYS  28 103.013 -13.070  -0.940
  171   1HZ   LYS  28          1HZ       LYS  28 103.191 -14.288   0.909
  172   2HZ   LYS  28          2HZ       LYS  28 101.653 -13.868   1.471
  173   3HZ   LYS  28          3HZ       LYS  28 102.963 -12.836   1.747
  174    H    LEU  29           H        LEU  29 102.782  -6.405  -0.428
  175    HA   LEU  29           HA       LEU  29 102.427  -4.711   1.772
  176   1HB   LEU  29          1HB       LEU  29 102.733  -3.231  -0.726
  177   2HB   LEU  29          2HB       LEU  29 103.684  -3.162   0.738
  178    HG   LEU  29           HG       LEU  29 105.083  -3.719  -1.092
  179   1HD1  LEU  29          1HD1      LEU  29 104.616  -6.316   0.378
  180   2HD1  LEU  29          2HD1      LEU  29 105.394  -4.921   1.123
  181   3HD1  LEU  29          3HD1      LEU  29 106.129  -5.696  -0.280
  182   1HD2  LEU  29          1HD2      LEU  29 104.465  -4.930  -2.807
  183   2HD2  LEU  29          2HD2      LEU  29 102.857  -4.986  -2.085
  184   3HD2  LEU  29          3HD2      LEU  29 104.004  -6.293  -1.795
  185    HA   PRO  30           HA       PRO  30  98.631  -2.538   1.387
  186   1HB   PRO  30          1HB       PRO  30 100.079   0.010   0.928
  187   2HB   PRO  30          2HB       PRO  30  98.946  -0.421   2.215
  188   1HG   PRO  30          1HG       PRO  30 101.580  -0.198   2.677
  189   2HG   PRO  30          2HG       PRO  30 100.584  -1.409   3.510
  190   1HD   PRO  30          1HD       PRO  30 102.501  -1.763   1.237
  191   2HD   PRO  30          2HD       PRO  30 102.150  -2.843   2.601
  192    HA   PRO  31           HA       PRO  31  97.753  -1.473  -2.841
  193   1HB   PRO  31          1HB       PRO  31  96.510   1.106  -2.412
  194   2HB   PRO  31          2HB       PRO  31  95.737  -0.455  -2.710
  195   1HG   PRO  31          1HG       PRO  31  95.586   0.884  -0.331
  196   2HG   PRO  31          2HG       PRO  31  95.444  -0.876  -0.482
  197   1HD   PRO  31          1HD       PRO  31  97.803   0.774   0.346
  198   2HD   PRO  31          2HD       PRO  31  97.218  -0.770   1.006
  199    H    GLY  32           H        GLY  32  99.560  -1.067  -4.046
  200   1HA   GLY  32          1HA       GLY  32 100.505   0.574  -5.559
  201   2HA   GLY  32          2HA       GLY  32 100.369   1.762  -4.274
  202    H    VAL  33           H        VAL  33 101.590  -1.471  -3.754
  203    HA   VAL  33           HA       VAL  33 104.359  -0.519  -3.694
  204    HB   VAL  33           HB       VAL  33 104.025  -2.223  -1.459
  205   1HG1  VAL  33          1HG1      VAL  33 105.790  -0.526  -1.895
  206   2HG1  VAL  33          2HG1      VAL  33 105.079  -0.428  -0.284
  207   3HG1  VAL  33          3HG1      VAL  33 104.599   0.724  -1.529
  208   1HG2  VAL  33          1HG2      VAL  33 102.022  -0.006  -1.661
  209   2HG2  VAL  33          2HG2      VAL  33 102.678  -0.478  -0.099
  210   3HG2  VAL  33          3HG2      VAL  33 101.798  -1.651  -1.073
  211    H    ASP  34           H        ASP  34 105.714  -1.871  -4.582
  212    HA   ASP  34           HA       ASP  34 105.087  -4.721  -4.681
  213   1HB   ASP  34          1HB       ASP  34 104.201  -3.537  -6.759
  214   2HB   ASP  34          2HB       ASP  34 105.887  -3.231  -7.182
  215    H    ARG  35           H        ARG  35 106.869  -6.055  -4.979
  216    HA   ARG  35           HA       ARG  35 109.230  -5.360  -3.777
  217   1HB   ARG  35          1HB       ARG  35 109.199  -7.404  -5.975
  218   2HB   ARG  35          2HB       ARG  35 110.100  -7.425  -4.466
  219   1HG   ARG  35          1HG       ARG  35 107.446  -7.372  -3.663
  220   2HG   ARG  35          2HG       ARG  35 107.461  -8.450  -5.063
  221   1HD   ARG  35          1HD       ARG  35 109.581  -8.780  -3.008
  222   2HD   ARG  35          2HD       ARG  35 107.954  -9.327  -2.615
  223    HE   ARG  35           HE       ARG  35 108.486 -10.395  -5.081
  224   1HH1  ARG  35          1HH1      ARG  35 109.989 -10.536  -1.933
  225   2HH1  ARG  35          2HH1      ARG  35 110.626 -12.128  -2.172
  226   1HH2  ARG  35          1HH2      ARG  35 109.323 -12.489  -5.394
  227   2HH2  ARG  35          2HH2      ARG  35 110.249 -13.238  -4.136
  228    H    MET  36           H        MET  36 108.281  -4.676  -7.036
  229    HA   MET  36           HA       MET  36 110.720  -4.424  -8.321
  230   1HB   MET  36          1HB       MET  36 108.122  -2.945  -8.614
  231   2HB   MET  36          2HB       MET  36 109.509  -2.546  -9.619
  232   1HG   MET  36          1HG       MET  36 109.436  -5.221  -9.937
  233   2HG   MET  36          2HG       MET  36 107.721  -4.877  -9.691
  234   1HE   MET  36          1HE       MET  36 110.682  -2.884 -11.689
  235   2HE   MET  36          2HE       MET  36 110.356  -3.685 -13.226
  236   3HE   MET  36          3HE       MET  36 110.800  -4.640 -11.811
  237    H    ARG  37           H        ARG  37 109.061  -2.070  -6.249
  238    HA   ARG  37           HA       ARG  37 111.601  -0.757  -5.737
  239   1HB   ARG  37          1HB       ARG  37 110.239   1.502  -6.096
  240   2HB   ARG  37          2HB       ARG  37 111.146   0.743  -7.396
  241   1HG   ARG  37          1HG       ARG  37 108.367  -0.168  -7.126
  242   2HG   ARG  37          2HG       ARG  37 108.566   1.528  -7.575
  243   1HD   ARG  37          1HD       ARG  37 109.846   0.954  -9.496
  244   2HD   ARG  37          2HD       ARG  37 109.983  -0.726  -8.979
  245    HE   ARG  37           HE       ARG  37 107.911  -1.135  -9.865
  246   1HH1  ARG  37          1HH1      ARG  37 108.371   2.314  -9.603
  247   2HH1  ARG  37          2HH1      ARG  37 106.936   2.699 -10.492
  248   1HH2  ARG  37          1HH2      ARG  37 106.024  -0.632 -11.035
  249   2HH2  ARG  37          2HH2      ARG  37 105.603   1.027 -11.305
  250    H    LEU  38           H        LEU  38 110.810  -2.024  -3.760
  251    HA   LEU  38           HA       LEU  38 108.682  -0.825  -2.262
  252   1HB   LEU  38          1HB       LEU  38 110.632  -3.038  -1.777
  253   2HB   LEU  38          2HB       LEU  38 109.716  -2.375  -0.428
  254    HG   LEU  38           HG       LEU  38 108.463  -3.489  -2.940
  255   1HD1  LEU  38          1HD1      LEU  38 108.554  -5.544  -2.092
  256   2HD1  LEU  38          2HD1      LEU  38 107.974  -4.992  -0.524
  257   3HD1  LEU  38          3HD1      LEU  38 109.696  -4.930  -0.899
  258   1HD2  LEU  38          1HD2      LEU  38 106.489  -2.853  -2.141
  259   2HD2  LEU  38          2HD2      LEU  38 107.417  -1.748  -1.130
  260   3HD2  LEU  38          3HD2      LEU  38 106.899  -3.307  -0.488
  261    H    GLU  39           H        GLU  39 112.137  -0.440  -2.439
  262    HA   GLU  39           HA       GLU  39 112.310   1.045   0.015
  263   1HB   GLU  39          1HB       GLU  39 114.618   1.270  -0.408
  264   2HB   GLU  39          2HB       GLU  39 114.190  -0.349  -0.940
  265   1HG   GLU  39          1HG       GLU  39 114.333   1.962  -2.845
  266   2HG   GLU  39          2HG       GLU  39 115.748   1.007  -2.416
  267    H    ARG  40           H        ARG  40 110.664   1.830  -2.521
  268    HA   ARG  40           HA       ARG  40 111.610   4.616  -2.625
  269   1HB   ARG  40          1HB       ARG  40 111.256   2.819  -4.726
  270   2HB   ARG  40          2HB       ARG  40 109.829   3.843  -4.786
  271   1HG   ARG  40          1HG       ARG  40 112.044   5.546  -4.406
  272   2HG   ARG  40          2HG       ARG  40 112.483   4.396  -5.670
  273   1HD   ARG  40          1HD       ARG  40 110.852   5.132  -7.098
  274   2HD   ARG  40          2HD       ARG  40 109.792   5.658  -5.790
  275    HE   ARG  40           HE       ARG  40 111.710   7.237  -7.169
  276   1HH1  ARG  40          1HH1      ARG  40 110.257   6.759  -4.032
  277   2HH1  ARG  40          2HH1      ARG  40 110.519   8.394  -3.524
  278   1HH2  ARG  40          1HH2      ARG  40 112.059   9.386  -6.499
  279   2HH2  ARG  40          2HH2      ARG  40 111.546   9.885  -4.922
  280    H    HIS  41           H        HIS  41 109.166   2.455  -1.773
  281    HA   HIS  41           HA       HIS  41 107.004   4.378  -1.865
  282   1HB   HIS  41          1HB       HIS  41 107.235   1.473  -1.106
  283   2HB   HIS  41          2HB       HIS  41 105.766   2.394  -0.833
  284    HD1  HIS  41           HD1      HIS  41 104.992   3.719  -3.217
  285    HD2  HIS  41           HD2      HIS  41 107.154   0.180  -3.466
  286    HE1  HIS  41           HE1      HIS  41 104.570   2.834  -5.530
  287    HE2  HIS  41           HE2      HIS  41 105.814   0.648  -5.628
  288    H    LEU  42           H        LEU  42 109.523   3.775   0.196
  289    HA   LEU  42           HA       LEU  42 108.105   4.074   2.682
  290   1HB   LEU  42          1HB       LEU  42 111.037   4.058   1.979
  291   2HB   LEU  42          2HB       LEU  42 110.416   4.170   3.620
  292    HG   LEU  42           HG       LEU  42 109.311   1.903   2.163
  293   1HD1  LEU  42          1HD1      LEU  42 111.956   2.377   1.559
  294   2HD1  LEU  42          2HD1      LEU  42 111.110   0.832   1.441
  295   3HD1  LEU  42          3HD1      LEU  42 112.029   1.225   2.898
  296   1HD2  LEU  42          1HD2      LEU  42 110.917   2.017   4.691
  297   2HD2  LEU  42          2HD2      LEU  42 109.759   0.780   4.195
  298   3HD2  LEU  42          3HD2      LEU  42 109.200   2.402   4.603
  299    H    SER  43           H        SER  43 107.976   5.889   3.906
  300    HA   SER  43           HA       SER  43 108.222   8.403   2.578
  301   1HB   SER  43          1HB       SER  43 106.463   8.424   4.090
  302   2HB   SER  43          2HB       SER  43 107.362   7.514   5.308
  303    HG   SER  43           HG       SER  43 107.747  10.230   4.574
  304    H    ALA  44           H        ALA  44 109.440  10.250   3.464
  305    HA   ALA  44           HA       ALA  44 112.151   9.837   3.503
  306   1HB   ALA  44          1HB       ALA  44 110.495  12.065   4.649
  307   2HB   ALA  44          2HB       ALA  44 111.437  12.044   3.158
  308   3HB   ALA  44          3HB       ALA  44 112.257  12.089   4.719
  309    H    GLU  45           H        GLU  45 109.892   9.583   6.131
  310    HA   GLU  45           HA       GLU  45 111.907   9.442   8.179
  311   1HB   GLU  45          1HB       GLU  45 109.755   8.277   9.348
  312   2HB   GLU  45          2HB       GLU  45 110.017  10.013   9.295
  313   1HG   GLU  45          1HG       GLU  45 108.449  10.320   7.607
  314   2HG   GLU  45          2HG       GLU  45 108.481   8.624   7.134
  315    H    ASP  46           H        ASP  46 109.563   7.044   6.967
  316    HA   ASP  46           HA       ASP  46 110.617   4.771   8.062
  317   1HB   ASP  46          1HB       ASP  46 109.433   5.042   5.290
  318   2HB   ASP  46          2HB       ASP  46 109.597   3.535   6.194
  319    H    PHE  47           H        PHE  47 111.558   6.267   4.968
  320    HA   PHE  47           HA       PHE  47 113.490   4.366   4.263
  321   1HB   PHE  47          1HB       PHE  47 112.406   6.280   2.885
  322   2HB   PHE  47          2HB       PHE  47 113.708   7.273   3.544
  323    HD1  PHE  47           HD1      PHE  47 113.107   4.084   1.750
  324    HD2  PHE  47           HD2      PHE  47 115.735   7.339   2.484
  325    HE1  PHE  47           HE1      PHE  47 114.631   3.249  -0.010
  326    HE2  PHE  47           HE2      PHE  47 117.262   6.521   0.733
  327    HZ   PHE  47           HZ       PHE  47 116.706   4.478  -0.520
  328    H    SER  48           H        SER  48 113.811   7.512   5.885
  329    HA   SER  48           HA       SER  48 116.598   7.336   6.275
  330   1HB   SER  48          1HB       SER  48 115.201   9.439   6.351
  331   2HB   SER  48          2HB       SER  48 114.669   8.941   7.958
  332    HG   SER  48           HG       SER  48 117.018   8.826   8.429
  333    H    ARG  49           H        ARG  49 114.068   5.673   7.808
  334    HA   ARG  49           HA       ARG  49 115.525   5.348  10.317
  335   1HB   ARG  49          1HB       ARG  49 112.900   4.103   9.485
  336   2HB   ARG  49          2HB       ARG  49 113.582   4.130  11.104
  337   1HG   ARG  49          1HG       ARG  49 113.419   6.806  10.203
  338   2HG   ARG  49          2HG       ARG  49 111.880   6.021   9.850
  339   1HD   ARG  49          1HD       ARG  49 112.816   5.291  12.476
  340   2HD   ARG  49          2HD       ARG  49 112.742   7.047  12.305
  341    HE   ARG  49           HE       ARG  49 110.386   5.716  11.353
  342   1HH1  ARG  49          1HH1      ARG  49 111.983   6.993  14.182
  343   2HH1  ARG  49          2HH1      ARG  49 110.509   7.237  15.057
  344   1HH2  ARG  49          1HH2      ARG  49 108.447   6.035  12.504
  345   2HH2  ARG  49          2HH2      ARG  49 108.501   6.693  14.106
  346    H    VAL  50           H        VAL  50 114.419   3.442   7.559
  347    HA   VAL  50           HA       VAL  50 115.646   1.025   8.549
  348    HB   VAL  50           HB       VAL  50 114.646   1.434   5.741
  349   1HG1  VAL  50          1HG1      VAL  50 114.474  -0.873   5.639
  350   2HG1  VAL  50          2HG1      VAL  50 114.457  -1.052   7.392
  351   3HG1  VAL  50          3HG1      VAL  50 115.956  -0.630   6.564
  352   1HG2  VAL  50          1HG2      VAL  50 113.026   2.050   7.757
  353   2HG2  VAL  50          2HG2      VAL  50 112.835   0.298   7.794
  354   3HG2  VAL  50          3HG2      VAL  50 112.462   1.193   6.321
  355    H    PHE  51           H        PHE  51 116.421   3.512   6.173
  356    HA   PHE  51           HA       PHE  51 118.897   2.062   5.529
  357   1HB   PHE  51          1HB       PHE  51 117.517   4.287   4.020
  358   2HB   PHE  51          2HB       PHE  51 119.017   3.501   3.528
  359    HD1  PHE  51           HD1      PHE  51 115.650   3.622   2.905
  360    HD2  PHE  51           HD2      PHE  51 118.757   0.798   3.544
  361    HE1  PHE  51           HE1      PHE  51 114.363   1.936   1.649
  362    HE2  PHE  51           HE2      PHE  51 117.482  -0.894   2.286
  363    HZ   PHE  51           HZ       PHE  51 115.290  -0.319   1.335
  364    H    ALA  52           H        ALA  52 117.664   5.159   6.674
  365    HA   ALA  52           HA       ALA  52 118.708   6.789   7.914
  366   1HB   ALA  52          1HB       ALA  52 121.329   5.373   7.618
  367   2HB   ALA  52          2HB       ALA  52 120.106   4.815   8.760
  368   3HB   ALA  52          3HB       ALA  52 120.787   6.435   8.917
  369    H    MET  53           H        MET  53 118.817   6.348   4.857
  370    HA   MET  53           HA       MET  53 120.581   8.630   4.298
  371   1HB   MET  53          1HB       MET  53 120.696   7.220   1.975
  372   2HB   MET  53          2HB       MET  53 121.936   7.211   3.225
  373   1HG   MET  53          1HG       MET  53 121.403   5.125   3.943
  374   2HG   MET  53          2HG       MET  53 119.701   5.288   3.503
  375   1HE   MET  53          1HE       MET  53 118.951   5.558   1.068
  376   2HE   MET  53          2HE       MET  53 119.752   4.810  -0.314
  377   3HE   MET  53          3HE       MET  53 120.316   6.362   0.291
  378    H    SER  54           H        SER  54 120.052   9.730   2.290
  379    HA   SER  54           HA       SER  54 117.280  10.320   2.199
  380   1HB   SER  54          1HB       SER  54 119.671  11.198   0.592
  381   2HB   SER  54          2HB       SER  54 118.038  11.759   0.206
  382    HG   SER  54           HG       SER  54 117.973  12.391   2.521
  383    HA   PRO  55           HA       PRO  55 115.689   7.430  -0.774
  384   1HB   PRO  55          1HB       PRO  55 114.302   9.836  -1.866
  385   2HB   PRO  55          2HB       PRO  55 113.634   8.261  -1.422
  386   1HG   PRO  55          1HG       PRO  55 113.285  10.392   0.149
  387   2HG   PRO  55          2HG       PRO  55 113.558   8.777   0.834
  388   1HD   PRO  55          1HD       PRO  55 115.416  11.097   0.653
  389   2HD   PRO  55          2HD       PRO  55 115.306   9.827   1.891
  390    H    GLU  56           H        GLU  56 117.049  10.528  -1.634
  391    HA   GLU  56           HA       GLU  56 117.481   9.837  -4.399
  392   1HB   GLU  56          1HB       GLU  56 118.504  11.985  -4.607
  393   2HB   GLU  56          2HB       GLU  56 117.105  12.185  -3.556
  394   1HG   GLU  56          1HG       GLU  56 118.966  11.749  -1.694
  395   2HG   GLU  56          2HG       GLU  56 119.984  12.448  -2.956
  396    H    GLU  57           H        GLU  57 119.241   9.820  -1.379
  397    HA   GLU  57           HA       GLU  57 121.840   9.504  -2.293
  398   1HB   GLU  57          1HB       GLU  57 120.413   8.776   0.234
  399   2HB   GLU  57          2HB       GLU  57 121.939   7.963  -0.086
  400   1HG   GLU  57          1HG       GLU  57 121.649  10.943  -0.197
  401   2HG   GLU  57          2HG       GLU  57 122.042  10.072   1.285
  402    H    PHE  58           H        PHE  58 119.450   6.946  -1.552
  403    HA   PHE  58           HA       PHE  58 120.845   4.666  -2.151
  404   1HB   PHE  58          1HB       PHE  58 118.235   5.233  -1.659
  405   2HB   PHE  58          2HB       PHE  58 118.138   4.826  -3.370
  406    HD1  PHE  58           HD1      PHE  58 118.367   3.565  -0.025
  407    HD2  PHE  58           HD2      PHE  58 118.991   2.564  -4.114
  408    HE1  PHE  58           HE1      PHE  58 118.297   1.182   0.558
  409    HE2  PHE  58           HE2      PHE  58 118.917   0.173  -3.537
  410    HZ   PHE  58           HZ       PHE  58 118.571  -0.523  -1.201
  411    H    GLY  59           H        GLY  59 118.849   6.370  -4.584
  412   1HA   GLY  59          1HA       GLY  59 119.701   4.960  -6.810
  413   2HA   GLY  59          2HA       GLY  59 119.122   6.618  -6.851
  414    H    LYS  60           H        LYS  60 121.409   7.396  -5.027
  415    HA   LYS  60           HA       LYS  60 123.375   7.690  -7.174
  416   1HB   LYS  60          1HB       LYS  60 122.522   9.326  -4.890
  417   2HB   LYS  60          2HB       LYS  60 124.267   9.280  -5.125
  418   1HG   LYS  60          1HG       LYS  60 123.990  10.900  -6.613
  419   2HG   LYS  60          2HG       LYS  60 123.271   9.681  -7.673
  420   1HD   LYS  60          1HD       LYS  60 121.452  10.983  -7.656
  421   2HD   LYS  60          2HD       LYS  60 121.179  10.360  -6.027
  422   1HE   LYS  60          1HE       LYS  60 123.057  12.609  -6.174
  423   2HE   LYS  60          2HE       LYS  60 121.412  12.997  -6.677
  424   1HZ   LYS  60          1HZ       LYS  60 121.053  13.267  -4.504
  425   2HZ   LYS  60          2HZ       LYS  60 122.437  12.409  -4.049
  426   3HZ   LYS  60          3HZ       LYS  60 121.012  11.577  -4.422
  427    H    LEU  61           H        LEU  61 122.888   5.566  -4.727
  428    HA   LEU  61           HA       LEU  61 125.521   5.475  -3.627
  429   1HB   LEU  61          1HB       LEU  61 123.152   3.605  -3.464
  430   2HB   LEU  61          2HB       LEU  61 124.625   3.402  -2.543
  431    HG   LEU  61           HG       LEU  61 122.540   5.513  -2.248
  432   1HD1  LEU  61          1HD1      LEU  61 123.219   4.657   0.210
  433   2HD1  LEU  61          2HD1      LEU  61 123.532   3.208  -0.744
  434   3HD1  LEU  61          3HD1      LEU  61 121.935   3.952  -0.771
  435   1HD2  LEU  61          1HD2      LEU  61 124.261   6.306  -0.411
  436   2HD2  LEU  61          2HD2      LEU  61 124.322   6.934  -2.058
  437   3HD2  LEU  61          3HD2      LEU  61 125.427   5.653  -1.561
  438    H    ALA  62           H        ALA  62 125.436   2.467  -3.741
  439    HA   ALA  62           HA       ALA  62 126.335   2.087  -6.510
  440   1HB   ALA  62          1HB       ALA  62 127.677   0.814  -4.144
  441   2HB   ALA  62          2HB       ALA  62 128.207   2.344  -4.840
  442   3HB   ALA  62          3HB       ALA  62 128.239   0.874  -5.813
  443    H    LEU  63           H        LEU  63 126.634  -0.339  -6.980
  444    HA   LEU  63           HA       LEU  63 124.115  -1.597  -6.636
  445   1HB   LEU  63          1HB       LEU  63 125.769  -1.812  -8.568
  446   2HB   LEU  63          2HB       LEU  63 126.629  -2.958  -7.557
  447    HG   LEU  63           HG       LEU  63 123.842  -3.658  -7.663
  448   1HD1  LEU  63          1HD1      LEU  63 125.208  -3.144 -10.282
  449   2HD1  LEU  63          2HD1      LEU  63 123.591  -2.665  -9.763
  450   3HD1  LEU  63          3HD1      LEU  63 123.941  -4.359 -10.113
  451   1HD2  LEU  63          1HD2      LEU  63 126.142  -4.942  -7.277
  452   2HD2  LEU  63          2HD2      LEU  63 125.928  -5.278  -8.996
  453   3HD2  LEU  63          3HD2      LEU  63 124.683  -5.755  -7.841
  454    H    TRP  64           H        TRP  64 127.138  -1.815  -4.922
  455    HA   TRP  64           HA       TRP  64 126.405  -4.237  -3.536
  456   1HB   TRP  64          1HB       TRP  64 128.560  -3.721  -2.313
  457   2HB   TRP  64          2HB       TRP  64 128.731  -3.944  -4.060
  458    HD1  TRP  64           HD1      TRP  64 129.646  -1.909  -5.423
  459    HE1  TRP  64           HE1      TRP  64 130.408   0.461  -4.791
  460    HE3  TRP  64           HE3      TRP  64 127.922  -1.833  -0.736
  461    HZ2  TRP  64           HZ2      TRP  64 130.281   2.149  -2.476
  462    HZ3  TRP  64           HZ3      TRP  64 128.276   0.195   0.660
  463    HH2  TRP  64           HH2      TRP  64 129.416   2.136  -0.208
  464    H    LYS  65           H        LYS  65 126.486  -0.799  -3.149
  465    HA   LYS  65           HA       LYS  65 125.887  -0.747  -0.356
  466   1HB   LYS  65          1HB       LYS  65 126.786   1.136  -2.005
  467   2HB   LYS  65          2HB       LYS  65 125.066   1.495  -2.141
  468   1HG   LYS  65          1HG       LYS  65 124.879   2.017   0.135
  469   2HG   LYS  65          2HG       LYS  65 126.432   1.264   0.519
  470   1HD   LYS  65          1HD       LYS  65 127.534   3.006  -0.887
  471   2HD   LYS  65          2HD       LYS  65 125.963   3.801  -1.040
  472   1HE   LYS  65          1HE       LYS  65 125.877   4.319   1.245
  473   2HE   LYS  65          2HE       LYS  65 127.149   3.155   1.643
  474   1HZ   LYS  65          1HZ       LYS  65 127.575   5.766   1.405
  475   2HZ   LYS  65          2HZ       LYS  65 127.895   5.289  -0.185
  476   3HZ   LYS  65          3HZ       LYS  65 128.765   4.604   1.093
  477    H    ARG  66           H        ARG  66 123.899   0.085  -3.201
  478    HA   ARG  66           HA       ARG  66 121.432   0.304  -2.033
  479   1HB   ARG  66          1HB       ARG  66 122.133  -0.929  -4.697
  480   2HB   ARG  66          2HB       ARG  66 120.505  -0.467  -4.220
  481   1HG   ARG  66          1HG       ARG  66 121.259   1.849  -3.954
  482   2HG   ARG  66          2HG       ARG  66 122.866   1.363  -4.496
  483   1HD   ARG  66          1HD       ARG  66 120.585   0.648  -6.241
  484   2HD   ARG  66          2HD       ARG  66 121.013   2.363  -6.139
  485    HE   ARG  66           HE       ARG  66 123.390   1.210  -6.608
  486   1HH1  ARG  66          1HH1      ARG  66 120.290   0.857  -8.170
  487   2HH1  ARG  66          2HH1      ARG  66 120.972   0.478  -9.715
  488   1HH2  ARG  66          1HH2      ARG  66 124.288   0.713  -8.641
  489   2HH2  ARG  66          2HH2      ARG  66 123.242   0.395  -9.982
  490    H    ASN  67           H        ASN  67 123.080  -2.608  -3.085
  491    HA   ASN  67           HA       ASN  67 121.025  -4.448  -2.527
  492   1HB   ASN  67          1HB       ASN  67 123.921  -4.564  -3.043
  493   2HB   ASN  67          2HB       ASN  67 123.310  -5.891  -2.053
  494   1HD2  ASN  67          1HD2      ASN  67 122.791  -4.158  -5.081
  495   2HD2  ASN  67          2HD2      ASN  67 122.150  -5.506  -5.951
  496    H    GLU  68           H        GLU  68 123.970  -3.985  -0.582
  497    HA   GLU  68           HA       GLU  68 123.320  -5.311   1.677
  498   1HB   GLU  68          1HB       GLU  68 124.872  -2.772   1.289
  499   2HB   GLU  68          2HB       GLU  68 124.673  -3.469   2.891
  500   1HG   GLU  68          1HG       GLU  68 125.552  -5.638   1.752
  501   2HG   GLU  68          2HG       GLU  68 126.175  -4.518   0.541
  502    H    LEU  69           H        LEU  69 122.249  -2.041   0.836
  503    HA   LEU  69           HA       LEU  69 121.024  -1.456   3.305
  504   1HB   LEU  69          1HB       LEU  69 120.112  -0.461   0.618
  505   2HB   LEU  69          2HB       LEU  69 119.885   0.306   2.177
  506    HG   LEU  69           HG       LEU  69 122.639  -0.178   1.264
  507   1HD1  LEU  69          1HD1      LEU  69 122.609   1.231  -0.453
  508   2HD1  LEU  69          2HD1      LEU  69 121.647   2.404   0.439
  509   3HD1  LEU  69          3HD1      LEU  69 120.855   1.082  -0.408
  510   1HD2  LEU  69          1HD2      LEU  69 122.788   0.821   3.284
  511   2HD2  LEU  69          2HD2      LEU  69 121.200   1.575   3.140
  512   3HD2  LEU  69          3HD2      LEU  69 122.589   2.285   2.319
  513    H    LYS  70           H        LYS  70 119.486  -2.327   0.243
  514    HA   LYS  70           HA       LYS  70 116.939  -2.938   1.269
  515   1HB   LYS  70          1HB       LYS  70 118.468  -3.688  -1.188
  516   2HB   LYS  70          2HB       LYS  70 116.976  -4.544  -0.831
  517   1HG   LYS  70          1HG       LYS  70 115.680  -2.777  -1.341
  518   2HG   LYS  70          2HG       LYS  70 116.822  -1.612  -0.662
  519   1HD   LYS  70          1HD       LYS  70 116.950  -1.130  -2.914
  520   2HD   LYS  70          2HD       LYS  70 118.282  -2.271  -2.723
  521   1HE   LYS  70          1HE       LYS  70 116.672  -4.086  -3.401
  522   2HE   LYS  70          2HE       LYS  70 115.531  -2.810  -3.821
  523   1HZ   LYS  70          1HZ       LYS  70 118.262  -2.977  -4.962
  524   2HZ   LYS  70          2HZ       LYS  70 116.983  -2.000  -5.483
  525   3HZ   LYS  70          3HZ       LYS  70 116.908  -3.677  -5.699
  526    H    LYS  71           H        LYS  71 119.928  -4.627   1.374
  527    HA   LYS  71           HA       LYS  71 118.800  -7.207   1.978
  528   1HB   LYS  71          1HB       LYS  71 121.597  -6.077   1.846
  529   2HB   LYS  71          2HB       LYS  71 121.286  -7.707   2.448
  530   1HG   LYS  71          1HG       LYS  71 120.388  -8.381   0.344
  531   2HG   LYS  71          2HG       LYS  71 120.410  -6.719  -0.254
  532   1HD   LYS  71          1HD       LYS  71 122.775  -6.681  -0.334
  533   2HD   LYS  71          2HD       LYS  71 122.906  -8.158   0.622
  534   1HE   LYS  71          1HE       LYS  71 121.592  -8.095  -2.078
  535   2HE   LYS  71          2HE       LYS  71 123.323  -8.359  -1.879
  536   1HZ   LYS  71          1HZ       LYS  71 121.855 -10.401  -2.032
  537   2HZ   LYS  71          2HZ       LYS  71 121.320 -10.021  -0.472
  538   3HZ   LYS  71          3HZ       LYS  71 122.956 -10.355  -0.747
  539    H    LYS  72           H        LYS  72 120.086  -4.464   3.722
  540    HA   LYS  72           HA       LYS  72 119.997  -5.900   6.254
  541   1HB   LYS  72          1HB       LYS  72 121.954  -4.536   5.963
  542   2HB   LYS  72          2HB       LYS  72 120.981  -3.146   5.506
  543   1HG   LYS  72          1HG       LYS  72 120.202  -4.090   8.108
  544   2HG   LYS  72          2HG       LYS  72 121.944  -3.799   8.048
  545   1HD   LYS  72          1HD       LYS  72 121.465  -1.644   8.392
  546   2HD   LYS  72          2HD       LYS  72 120.867  -1.614   6.732
  547   1HE   LYS  72          1HE       LYS  72 119.164  -0.704   8.138
  548   2HE   LYS  72          2HE       LYS  72 118.630  -2.299   7.608
  549   1HZ   LYS  72          1HZ       LYS  72 119.231  -3.215   9.719
  550   2HZ   LYS  72          2HZ       LYS  72 118.245  -1.869   9.991
  551   3HZ   LYS  72          3HZ       LYS  72 119.915  -1.754  10.227
  552    H    ALA  73           H        ALA  73 118.267  -3.659   4.341
  553    HA   ALA  73           HA       ALA  73 116.611  -2.591   6.428
  554   1HB   ALA  73          1HB       ALA  73 116.884  -2.296   3.501
  555   2HB   ALA  73          2HB       ALA  73 116.703  -1.063   4.749
  556   3HB   ALA  73          3HB       ALA  73 115.293  -1.960   4.181
  557    H    GLU  74           H        GLU  74 116.786  -5.590   5.148
  558    HA   GLU  74           HA       GLU  74 115.418  -7.392   5.222
  559   1HB   GLU  74          1HB       GLU  74 114.126  -5.493   6.966
  560   2HB   GLU  74          2HB       GLU  74 112.923  -6.444   6.108
  561   1HG   GLU  74          1HG       GLU  74 113.281  -7.705   7.991
  562   2HG   GLU  74          2HG       GLU  74 114.377  -8.463   6.836
  563    H    LEU  75           H        LEU  75 115.266  -5.025   3.136
  564    HA   LEU  75           HA       LEU  75 113.114  -6.301   1.638
  565   1HB   LEU  75          1HB       LEU  75 113.032  -3.716   0.692
  566   2HB   LEU  75          2HB       LEU  75 111.837  -4.502   1.718
  567    HG   LEU  75           HG       LEU  75 113.701  -3.545   3.500
  568   1HD1  LEU  75          1HD1      LEU  75 114.910  -2.204   2.000
  569   2HD1  LEU  75          2HD1      LEU  75 113.801  -1.098   2.814
  570   3HD1  LEU  75          3HD1      LEU  75 113.444  -1.664   1.178
  571   1HD2  LEU  75          1HD2      LEU  75 111.877  -1.641   3.654
  572   2HD2  LEU  75          2HD2      LEU  75 111.511  -3.301   4.123
  573   3HD2  LEU  75          3HD2      LEU  75 111.015  -2.704   2.540
  574    H    PHE  76           H        PHE  76 115.079  -7.433   0.854
  575    HA   PHE  76           HA       PHE  76 116.063  -6.006  -1.529
  576   1HB   PHE  76          1HB       PHE  76 118.072  -6.112  -0.398
  577   2HB   PHE  76          2HB       PHE  76 117.635  -7.587   0.469
  578    HD1  PHE  76           HD1      PHE  76 118.704  -6.245  -2.809
  579    HD2  PHE  76           HD2      PHE  76 118.286  -9.698  -0.355
  580    HE1  PHE  76           HE1      PHE  76 120.004  -7.553  -4.437
  581    HE2  PHE  76           HE2      PHE  76 119.589 -11.013  -1.978
  582    HZ   PHE  76           HZ       PHE  76 120.449  -9.941  -4.023
  Start of MODEL   17
    1    HT1  PRO   9           HT1      PRO   9 101.752  14.331  -6.086
    2    HT2  PRO   9           HT2      PRO   9 103.384  14.392  -6.294
    3    HA   PRO   9           HA       PRO   9 101.337  13.750  -8.042
    4   1HB   PRO   9          1HB       PRO   9 103.302  14.880  -9.743
    5   2HB   PRO   9          2HB       PRO   9 101.615  15.379  -9.564
    6   1HG   PRO   9          1HG       PRO   9 104.058  16.471  -8.274
    7   2HG   PRO   9          2HG       PRO   9 102.564  17.300  -8.744
    8   1HD   PRO   9          1HD       PRO   9 103.076  16.779  -6.181
    9   2HD   PRO   9          2HD       PRO   9 101.432  16.612  -6.823
   10    H    GLY  10           H        GLY  10 103.026  12.378  -6.276
   11   1HA   GLY  10          1HA       GLY  10 104.943  11.096  -8.124
   12   2HA   GLY  10          2HA       GLY  10 105.179  11.189  -6.387
   13    H    LEU  11           H        LEU  11 104.970   9.303  -5.489
   14    HA   LEU  11           HA       LEU  11 102.861   7.500  -6.464
   15   1HB   LEU  11          1HB       LEU  11 104.490   5.778  -5.257
   16   2HB   LEU  11          2HB       LEU  11 104.635   6.195  -6.953
   17    HG   LEU  11           HG       LEU  11 106.271   8.056  -5.889
   18   1HD1  LEU  11          1HD1      LEU  11 105.715   6.798  -3.631
   19   2HD1  LEU  11          2HD1      LEU  11 107.324   7.443  -3.964
   20   3HD1  LEU  11          3HD1      LEU  11 106.995   5.726  -4.201
   21   1HD2  LEU  11          1HD2      LEU  11 107.997   6.844  -6.815
   22   2HD2  LEU  11          2HD2      LEU  11 106.592   6.150  -7.627
   23   3HD2  LEU  11          3HD2      LEU  11 107.340   5.298  -6.275
   24    H    GLN  12           H        GLN  12 102.088   5.940  -4.793
   25    HA   GLN  12           HA       GLN  12 101.345   7.401  -2.437
   26   1HB   GLN  12          1HB       GLN  12 100.423   4.870  -1.960
   27   2HB   GLN  12          2HB       GLN  12  99.536   6.122  -2.811
   28   1HG   GLN  12          1HG       GLN  12 101.344   4.275  -4.309
   29   2HG   GLN  12          2HG       GLN  12  99.730   3.756  -3.828
   30   1HE2  GLN  12          1HE2      GLN  12 101.333   4.805  -6.368
   31   2HE2  GLN  12          2HE2      GLN  12 100.120   5.732  -7.177
   32    H    ILE  13           H        ILE  13 102.325   7.431  -0.561
   33    HA   ILE  13           HA       ILE  13 104.508   5.556  -0.051
   34    HB   ILE  13           HB       ILE  13 103.841   7.904   1.689
   35   1HG1  ILE  13          1HG1      ILE  13 103.963   8.611  -0.737
   36   2HG1  ILE  13          2HG1      ILE  13 105.143   9.367   0.329
   37   1HG2  ILE  13          1HG2      ILE  13 106.379   7.865   1.885
   38   2HG2  ILE  13          2HG2      ILE  13 106.299   6.294   1.092
   39   3HG2  ILE  13          3HG2      ILE  13 105.494   6.540   2.642
   40   1HD1  ILE  13          1HD1      ILE  13 105.678   7.052  -1.514
   41   2HD1  ILE  13          2HD1      ILE  13 106.855   7.836  -0.460
   42   3HD1  ILE  13          3HD1      ILE  13 106.133   8.732  -1.797
   43    H    TYR  14           H        TYR  14 104.403   4.006   1.493
   44    HA   TYR  14           HA       TYR  14 102.190   4.134   3.432
   45   1HB   TYR  14          1HB       TYR  14 103.020   1.427   2.613
   46   2HB   TYR  14          2HB       TYR  14 101.410   2.073   2.913
   47    HD1  TYR  14           HD1      TYR  14 104.147   2.067   0.399
   48    HD2  TYR  14           HD2      TYR  14  99.978   2.518   1.113
   49    HE1  TYR  14           HE1      TYR  14 103.743   2.095  -2.024
   50    HE2  TYR  14           HE2      TYR  14  99.562   2.552  -1.311
   51    HH   TYR  14           HH       TYR  14 102.192   2.618  -3.631
   52    HA   PRO  15           HA       PRO  15 104.821   2.973   6.781
   53   1HB   PRO  15          1HB       PRO  15 103.576   0.271   6.949
   54   2HB   PRO  15          2HB       PRO  15 103.757   1.509   8.202
   55   1HG   PRO  15          1HG       PRO  15 101.392   1.072   7.071
   56   2HG   PRO  15          2HG       PRO  15 101.923   2.722   7.448
   57   1HD   PRO  15          1HD       PRO  15 101.852   1.306   4.813
   58   2HD   PRO  15          2HD       PRO  15 101.476   3.001   5.196
   59    H    TYR  16           H        TYR  16 106.564   1.497   7.484
   60    HA   TYR  16           HA       TYR  16 107.903   0.354   5.193
   61   1HB   TYR  16          1HB       TYR  16 109.365   1.591   6.517
   62   2HB   TYR  16          2HB       TYR  16 108.666   0.999   8.021
   63    HD1  TYR  16           HD1      TYR  16 110.743  -0.042   5.118
   64    HD2  TYR  16           HD2      TYR  16 109.614  -0.779   9.143
   65    HE1  TYR  16           HE1      TYR  16 112.543  -1.713   5.292
   66    HE2  TYR  16           HE2      TYR  16 111.411  -2.453   9.351
   67    HH   TYR  16           HH       TYR  16 113.925  -2.726   7.188
   68    H    GLU  17           H        GLU  17 107.104  -0.808   8.478
   69    HA   GLU  17           HA       GLU  17 107.712  -3.492   8.143
   70   1HB   GLU  17          1HB       GLU  17 106.050  -3.924   9.939
   71   2HB   GLU  17          2HB       GLU  17 107.141  -2.597  10.316
   72   1HG   GLU  17          1HG       GLU  17 104.669  -1.771   8.990
   73   2HG   GLU  17          2HG       GLU  17 104.434  -2.530  10.568
   74    H    MET  18           H        MET  18 105.045  -1.672   6.884
   75    HA   MET  18           HA       MET  18 103.509  -4.021   6.144
   76   1HB   MET  18          1HB       MET  18 102.745  -1.517   6.762
   77   2HB   MET  18          2HB       MET  18 102.864  -1.350   5.017
   78   1HG   MET  18          1HG       MET  18 100.803  -2.140   4.915
   79   2HG   MET  18          2HG       MET  18 101.474  -3.711   5.357
   80   1HE   MET  18          1HE       MET  18  99.770  -4.700   8.255
   81   2HE   MET  18          2HE       MET  18 100.391  -4.968   6.626
   82   3HE   MET  18          3HE       MET  18  98.756  -4.350   6.855
   83    H    LEU  19           H        LEU  19 105.785  -1.797   4.758
   84    HA   LEU  19           HA       LEU  19 105.308  -2.659   2.036
   85   1HB   LEU  19          1HB       LEU  19 107.094  -0.669   3.369
   86   2HB   LEU  19          2HB       LEU  19 107.418  -1.159   1.714
   87    HG   LEU  19           HG       LEU  19 104.847   0.083   2.695
   88   1HD1  LEU  19          1HD1      LEU  19 107.015   1.494   2.577
   89   2HD1  LEU  19          2HD1      LEU  19 105.544   2.110   1.824
   90   3HD1  LEU  19          3HD1      LEU  19 106.800   1.369   0.831
   91   1HD2  LEU  19          1HD2      LEU  19 104.050  -0.930   0.872
   92   2HD2  LEU  19          2HD2      LEU  19 105.658  -1.237   0.220
   93   3HD2  LEU  19          3HD2      LEU  19 104.904   0.339  -0.006
   94    H    VAL  20           H        VAL  20 107.242  -3.656   4.667
   95    HA   VAL  20           HA       VAL  20 109.608  -4.518   3.581
   96    HB   VAL  20           HB       VAL  20 108.065  -6.287   5.469
   97   1HG1  VAL  20          1HG1      VAL  20 110.452  -6.349   6.464
   98   2HG1  VAL  20          2HG1      VAL  20 110.940  -5.765   4.875
   99   3HG1  VAL  20          3HG1      VAL  20 110.091  -7.304   5.025
  100   1HG2  VAL  20          1HG2      VAL  20 109.422  -3.672   6.048
  101   2HG2  VAL  20          2HG2      VAL  20 109.058  -4.874   7.285
  102   3HG2  VAL  20          3HG2      VAL  20 107.754  -4.131   6.368
  103    H    VAL  21           H        VAL  21 110.256  -6.818   2.986
  104    HA   VAL  21           HA       VAL  21 108.316  -7.763   1.003
  105    HB   VAL  21           HB       VAL  21 111.243  -8.441   1.210
  106   1HG1  VAL  21          1HG1      VAL  21 110.700  -8.745  -1.362
  107   2HG1  VAL  21          2HG1      VAL  21 109.083  -9.055  -0.729
  108   3HG1  VAL  21          3HG1      VAL  21 110.444 -10.042  -0.193
  109   1HG2  VAL  21          1HG2      VAL  21 109.943  -6.341  -0.515
  110   2HG2  VAL  21          2HG2      VAL  21 111.659  -6.733  -0.441
  111   3HG2  VAL  21          3HG2      VAL  21 110.860  -6.007   0.956
  112    H    THR  22           H        THR  22 110.869  -9.419   2.882
  113    HA   THR  22           HA       THR  22 109.058 -11.720   3.089
  114    HB   THR  22           HB       THR  22 112.061 -11.508   3.202
  115    HG1  THR  22           HG1      THR  22 111.971 -12.281   1.250
  116   1HG2  THR  22          1HG2      THR  22 110.502 -13.481   4.487
  117   2HG2  THR  22          2HG2      THR  22 112.250 -13.435   4.260
  118   3HG2  THR  22          3HG2      THR  22 111.223 -14.210   3.053
  119    H    ASN  23           H        ASN  23 111.807 -10.700   5.026
  120    HA   ASN  23           HA       ASN  23 111.526 -11.697   7.399
  121   1HB   ASN  23          1HB       ASN  23 111.758  -8.698   7.196
  122   2HB   ASN  23          2HB       ASN  23 112.449  -9.751   8.431
  123   1HD2  ASN  23          1HD2      ASN  23 112.604  -8.817   5.050
  124   2HD2  ASN  23          2HD2      ASN  23 114.240  -9.319   4.796
  125    H    LYS  24           H        LYS  24 109.419  -8.980   6.446
  126    HA   LYS  24           HA       LYS  24 107.840  -9.448   8.868
  127   1HB   LYS  24          1HB       LYS  24 108.406  -7.119   7.184
  128   2HB   LYS  24          2HB       LYS  24 106.715  -7.255   7.659
  129   1HG   LYS  24          1HG       LYS  24 107.495  -6.051   9.415
  130   2HG   LYS  24          2HG       LYS  24 107.802  -7.674  10.036
  131   1HD   LYS  24          1HD       LYS  24 109.869  -6.139   8.485
  132   2HD   LYS  24          2HD       LYS  24 109.691  -5.965  10.231
  133   1HE   LYS  24          1HE       LYS  24 109.739  -8.743   9.557
  134   2HE   LYS  24          2HE       LYS  24 111.117  -7.941   8.805
  135   1HZ   LYS  24          1HZ       LYS  24 110.498  -8.311  11.637
  136   2HZ   LYS  24          2HZ       LYS  24 111.295  -6.887  11.194
  137   3HZ   LYS  24          3HZ       LYS  24 111.987  -8.389  10.837
  138    H    GLY  25           H        GLY  25 107.614  -9.619   5.369
  139   1HA   GLY  25          1HA       GLY  25 105.096 -11.062   5.674
  140   2HA   GLY  25          2HA       GLY  25 105.037  -9.596   4.712
  141    H    ARG  26           H        ARG  26 104.721 -10.314   2.703
  142    HA   ARG  26           HA       ARG  26 106.785 -12.044   1.544
  143   1HB   ARG  26          1HB       ARG  26 105.077 -13.608   1.883
  144   2HB   ARG  26          2HB       ARG  26 103.819 -12.459   1.471
  145   1HG   ARG  26          1HG       ARG  26 105.534 -12.824  -0.786
  146   2HG   ARG  26          2HG       ARG  26 105.014 -14.395  -0.174
  147   1HD   ARG  26          1HD       ARG  26 102.748 -12.756  -0.089
  148   2HD   ARG  26          2HD       ARG  26 103.524 -12.417  -1.630
  149    HE   ARG  26           HE       ARG  26 102.965 -14.521  -2.352
  150   1HH1  ARG  26          1HH1      ARG  26 102.532 -14.344   1.107
  151   2HH1  ARG  26          2HH1      ARG  26 101.736 -15.879   1.210
  152   1HH2  ARG  26          1HH2      ARG  26 101.918 -16.538  -2.217
  153   2HH2  ARG  26          2HH2      ARG  26 101.388 -17.124  -0.676
  154    H    THR  27           H        THR  27 103.831 -10.944  -0.022
  155    HA   THR  27           HA       THR  27 105.240  -8.761  -1.291
  156    HB   THR  27           HB       THR  27 104.420 -11.266  -2.619
  157    HG1  THR  27           HG1      THR  27 106.595 -10.575  -2.465
  158   1HG2  THR  27          1HG2      THR  27 102.820  -9.876  -3.685
  159   2HG2  THR  27          2HG2      THR  27 104.150 -10.163  -4.810
  160   3HG2  THR  27          3HG2      THR  27 104.023  -8.614  -3.966
  161    H    LYS  28           H        LYS  28 102.986  -9.416   0.542
  162    HA   LYS  28           HA       LYS  28 100.528  -8.660  -0.633
  163   1HB   LYS  28          1HB       LYS  28 101.354  -8.431   2.234
  164   2HB   LYS  28          2HB       LYS  28  99.718  -8.643   1.616
  165   1HG   LYS  28          1HG       LYS  28 100.073 -10.788   2.197
  166   2HG   LYS  28          2HG       LYS  28 100.881 -10.856   0.629
  167   1HD   LYS  28          1HD       LYS  28 102.252 -11.864   2.388
  168   2HD   LYS  28          2HD       LYS  28 103.036 -10.435   1.707
  169   1HE   LYS  28          1HE       LYS  28 103.193  -9.580   3.752
  170   2HE   LYS  28          2HE       LYS  28 101.433  -9.561   3.865
  171   1HZ   LYS  28          1HZ       LYS  28 101.421 -11.671   4.872
  172   2HZ   LYS  28          2HZ       LYS  28 102.646 -10.811   5.658
  173   3HZ   LYS  28          3HZ       LYS  28 103.043 -11.968   4.489
  174    H    LEU  29           H        LEU  29 102.507  -6.821  -1.353
  175    HA   LEU  29           HA       LEU  29 102.731  -4.515   0.132
  176   1HB   LEU  29          1HB       LEU  29 102.994  -5.293  -2.691
  177   2HB   LEU  29          2HB       LEU  29 102.774  -3.586  -2.404
  178    HG   LEU  29           HG       LEU  29 105.080  -3.947  -2.566
  179   1HD1  LEU  29          1HD1      LEU  29 104.505  -2.450  -0.761
  180   2HD1  LEU  29          2HD1      LEU  29 105.924  -3.397  -0.320
  181   3HD1  LEU  29          3HD1      LEU  29 104.354  -3.805   0.354
  182   1HD2  LEU  29          1HD2      LEU  29 106.017  -5.617  -0.706
  183   2HD2  LEU  29          2HD2      LEU  29 105.626  -6.111  -2.354
  184   3HD2  LEU  29          3HD2      LEU  29 104.470  -6.386  -1.051
  185    HA   PRO  30           HA       PRO  30  98.818  -2.442   0.035
  186   1HB   PRO  30          1HB       PRO  30 100.408   0.002  -0.540
  187   2HB   PRO  30          2HB       PRO  30  99.262  -0.310   0.771
  188   1HG   PRO  30          1HG       PRO  30 101.905  -0.244   1.208
  189   2HG   PRO  30          2HG       PRO  30 100.841  -1.365   2.082
  190   1HD   PRO  30          1HD       PRO  30 102.731  -1.903  -0.163
  191   2HD   PRO  30          2HD       PRO  30 102.289  -2.929   1.216
  192    HA   PRO  31           HA       PRO  31  97.744  -1.503  -4.154
  193   1HB   PRO  31          1HB       PRO  31  97.023   1.312  -3.754
  194   2HB   PRO  31          2HB       PRO  31  95.988  -0.068  -4.141
  195   1HG   PRO  31          1HG       PRO  31  95.937   1.137  -1.727
  196   2HG   PRO  31          2HG       PRO  31  95.645  -0.600  -1.926
  197   1HD   PRO  31          1HD       PRO  31  98.126   0.814  -1.020
  198   2HD   PRO  31          2HD       PRO  31  97.389  -0.680  -0.400
  199    H    GLY  32           H        GLY  32  99.513  -1.518  -5.470
  200   1HA   GLY  32          1HA       GLY  32 100.758  -0.427  -7.133
  201   2HA   GLY  32          2HA       GLY  32 100.550   1.084  -6.270
  202    H    VAL  33           H        VAL  33 101.927  -2.009  -5.101
  203    HA   VAL  33           HA       VAL  33 104.524  -0.660  -4.897
  204    HB   VAL  33           HB       VAL  33 104.166  -2.478  -2.709
  205   1HG1  VAL  33          1HG1      VAL  33 105.743  -0.392  -3.326
  206   2HG1  VAL  33          2HG1      VAL  33 105.563  -1.071  -1.713
  207   3HG1  VAL  33          3HG1      VAL  33 104.627   0.348  -2.181
  208   1HG2  VAL  33          1HG2      VAL  33 102.775  -0.500  -1.529
  209   2HG2  VAL  33          2HG2      VAL  33 102.046  -1.972  -2.165
  210   3HG2  VAL  33          3HG2      VAL  33 102.041  -0.495  -3.130
  211    H    ASP  34           H        ASP  34 106.176  -1.759  -5.602
  212    HA   ASP  34           HA       ASP  34 106.031  -4.683  -5.739
  213   1HB   ASP  34          1HB       ASP  34 105.395  -3.774  -7.960
  214   2HB   ASP  34          2HB       ASP  34 106.935  -2.917  -8.028
  215    H    ARG  35           H        ARG  35 108.037  -5.732  -5.635
  216    HA   ARG  35           HA       ARG  35 109.975  -4.581  -4.025
  217   1HB   ARG  35          1HB       ARG  35 109.734  -7.048  -5.606
  218   2HB   ARG  35          2HB       ARG  35 111.388  -6.540  -5.296
  219   1HG   ARG  35          1HG       ARG  35 110.971  -7.898  -3.496
  220   2HG   ARG  35          2HG       ARG  35 110.575  -6.306  -2.838
  221   1HD   ARG  35          1HD       ARG  35 108.697  -7.374  -2.179
  222   2HD   ARG  35          2HD       ARG  35 108.174  -6.989  -3.817
  223    HE   ARG  35           HE       ARG  35 109.006  -9.603  -2.810
  224   1HH1  ARG  35          1HH1      ARG  35 107.882  -7.665  -5.493
  225   2HH1  ARG  35          2HH1      ARG  35 107.443  -9.035  -6.454
  226   1HH2  ARG  35          1HH2      ARG  35 108.430 -11.397  -4.079
  227   2HH2  ARG  35          2HH2      ARG  35 107.754 -11.149  -5.654
  228    H    MET  36           H        MET  36 109.549  -4.270  -7.432
  229    HA   MET  36           HA       MET  36 112.080  -3.844  -8.404
  230   1HB   MET  36          1HB       MET  36 109.409  -2.696  -9.076
  231   2HB   MET  36          2HB       MET  36 110.836  -1.993  -9.826
  232   1HG   MET  36          1HG       MET  36 111.195  -4.714 -10.142
  233   2HG   MET  36          2HG       MET  36 109.465  -4.477 -10.400
  234   1HE   MET  36          1HE       MET  36 109.509  -4.765 -13.557
  235   2HE   MET  36          2HE       MET  36 108.909  -3.106 -13.535
  236   3HE   MET  36          3HE       MET  36 108.530  -4.199 -12.202
  237    H    ARG  37           H        ARG  37 110.049  -1.546  -6.624
  238    HA   ARG  37           HA       ARG  37 112.444  -0.021  -5.961
  239   1HB   ARG  37          1HB       ARG  37 111.136   2.123  -6.412
  240   2HB   ARG  37          2HB       ARG  37 111.787   1.268  -7.795
  241   1HG   ARG  37          1HG       ARG  37 109.063   0.486  -7.070
  242   2HG   ARG  37          2HG       ARG  37 109.239   2.170  -7.573
  243   1HD   ARG  37          1HD       ARG  37 110.115  -0.270  -9.116
  244   2HD   ARG  37          2HD       ARG  37 108.737   0.767  -9.489
  245    HE   ARG  37           HE       ARG  37 110.815   2.490  -9.513
  246   1HH1  ARG  37          1HH1      ARG  37 110.253  -0.573 -11.085
  247   2HH1  ARG  37          2HH1      ARG  37 111.234  -0.191 -12.459
  248   1HH2  ARG  37          1HH2      ARG  37 112.107   2.996 -11.320
  249   2HH2  ARG  37          2HH2      ARG  37 112.287   1.836 -12.593
  250    H    LEU  38           H        LEU  38 111.109  -1.714  -4.272
  251    HA   LEU  38           HA       LEU  38 109.059  -0.539  -2.774
  252   1HB   LEU  38          1HB       LEU  38 110.964  -2.766  -2.402
  253   2HB   LEU  38          2HB       LEU  38 110.264  -2.097  -0.933
  254    HG   LEU  38           HG       LEU  38 108.657  -3.109  -3.282
  255   1HD1  LEU  38          1HD1      LEU  38 108.646  -4.502  -0.675
  256   2HD1  LEU  38          2HD1      LEU  38 110.075  -4.714  -1.686
  257   3HD1  LEU  38          3HD1      LEU  38 108.483  -5.145  -2.308
  258   1HD2  LEU  38          1HD2      LEU  38 107.726  -1.296  -1.749
  259   2HD2  LEU  38          2HD2      LEU  38 107.689  -2.543  -0.505
  260   3HD2  LEU  38          3HD2      LEU  38 106.755  -2.747  -1.987
  261    H    GLU  39           H        GLU  39 112.521  -0.128  -2.703
  262    HA   GLU  39           HA       GLU  39 112.531   1.336  -0.237
  263   1HB   GLU  39          1HB       GLU  39 114.841   1.577  -0.511
  264   2HB   GLU  39          2HB       GLU  39 114.488   0.005  -1.216
  265   1HG   GLU  39          1HG       GLU  39 114.803   2.546  -2.798
  266   2HG   GLU  39          2HG       GLU  39 116.089   1.373  -2.520
  267    H    ARG  40           H        ARG  40 111.018   2.097  -2.871
  268    HA   ARG  40           HA       ARG  40 111.836   4.923  -2.890
  269   1HB   ARG  40          1HB       ARG  40 112.251   3.867  -5.028
  270   2HB   ARG  40          2HB       ARG  40 110.629   3.203  -5.053
  271   1HG   ARG  40          1HG       ARG  40 110.566   4.993  -6.531
  272   2HG   ARG  40          2HG       ARG  40 109.808   5.603  -5.060
  273   1HD   ARG  40          1HD       ARG  40 111.321   7.264  -5.937
  274   2HD   ARG  40          2HD       ARG  40 111.957   6.631  -4.420
  275    HE   ARG  40           HE       ARG  40 113.169   5.095  -6.287
  276   1HH1  ARG  40          1HH1      ARG  40 112.865   8.545  -5.866
  277   2HH1  ARG  40          2HH1      ARG  40 114.381   8.897  -6.623
  278   1HH2  ARG  40          1HH2      ARG  40 115.163   5.554  -7.283
  279   2HH2  ARG  40          2HH2      ARG  40 115.687   7.200  -7.429
  280    H    HIS  41           H        HIS  41 109.434   2.642  -2.200
  281    HA   HIS  41           HA       HIS  41 107.199   4.479  -2.380
  282   1HB   HIS  41          1HB       HIS  41 107.583   1.564  -1.911
  283   2HB   HIS  41          2HB       HIS  41 106.132   2.313  -1.259
  284    HD1  HIS  41           HD1      HIS  41 104.624   3.613  -3.116
  285    HD2  HIS  41           HD2      HIS  41 107.424   0.889  -4.532
  286    HE1  HIS  41           HE1      HIS  41 103.932   3.099  -5.478
  287    HE2  HIS  41           HE2      HIS  41 105.595   1.394  -6.288
  288    H    LEU  42           H        LEU  42 109.625   3.914  -0.193
  289    HA   LEU  42           HA       LEU  42 108.068   4.099   2.220
  290   1HB   LEU  42          1HB       LEU  42 111.030   4.186   1.668
  291   2HB   LEU  42          2HB       LEU  42 110.329   4.246   3.279
  292    HG   LEU  42           HG       LEU  42 109.384   1.980   1.689
  293   1HD1  LEU  42          1HD1      LEU  42 112.075   1.425   2.670
  294   2HD1  LEU  42          2HD1      LEU  42 112.034   2.525   1.286
  295   3HD1  LEU  42          3HD1      LEU  42 111.283   0.933   1.171
  296   1HD2  LEU  42          1HD2      LEU  42 110.753   2.073   4.352
  297   2HD2  LEU  42          2HD2      LEU  42 109.662   0.833   3.731
  298   3HD2  LEU  42          3HD2      LEU  42 109.044   2.438   4.122
  299    H    SER  43           H        SER  43 107.977   5.854   3.601
  300    HA   SER  43           HA       SER  43 108.211   8.429   2.328
  301   1HB   SER  43          1HB       SER  43 107.537   8.980   4.924
  302   2HB   SER  43          2HB       SER  43 106.376   8.616   3.643
  303    HG   SER  43           HG       SER  43 107.339   6.969   5.704
  304    H    ALA  44           H        ALA  44 109.233  10.266   3.500
  305    HA   ALA  44           HA       ALA  44 111.954   9.924   3.773
  306   1HB   ALA  44          1HB       ALA  44 110.316  12.077   3.752
  307   2HB   ALA  44          2HB       ALA  44 112.034  12.145   4.146
  308   3HB   ALA  44          3HB       ALA  44 110.835  12.077   5.437
  309    H    GLU  45           H        GLU  45 109.460   9.381   6.117
  310    HA   GLU  45           HA       GLU  45 111.262   9.290   8.373
  311   1HB   GLU  45          1HB       GLU  45 108.732   7.892   8.761
  312   2HB   GLU  45          2HB       GLU  45 109.402   9.257   9.638
  313   1HG   GLU  45          1HG       GLU  45 108.645  10.574   7.489
  314   2HG   GLU  45          2HG       GLU  45 107.545   9.205   7.327
  315    H    ASP  46           H        ASP  46 109.320   6.933   6.575
  316    HA   ASP  46           HA       ASP  46 110.296   4.628   7.793
  317   1HB   ASP  46          1HB       ASP  46 109.311   4.989   4.955
  318   2HB   ASP  46          2HB       ASP  46 109.495   3.440   5.781
  319    H    PHE  47           H        PHE  47 111.390   6.232   4.801
  320    HA   PHE  47           HA       PHE  47 113.433   4.451   4.160
  321   1HB   PHE  47          1HB       PHE  47 112.415   6.476   2.853
  322   2HB   PHE  47          2HB       PHE  47 113.713   7.386   3.629
  323    HD1  PHE  47           HD1      PHE  47 113.140   4.282   1.664
  324    HD2  PHE  47           HD2      PHE  47 115.763   7.493   2.608
  325    HE1  PHE  47           HE1      PHE  47 114.715   3.513  -0.073
  326    HE2  PHE  47           HE2      PHE  47 117.336   6.734   0.875
  327    HZ   PHE  47           HZ       PHE  47 116.805   4.744  -0.473
  328    H    SER  48           H        SER  48 113.878   7.681   5.597
  329    HA   SER  48           HA       SER  48 116.547   7.349   6.292
  330   1HB   SER  48          1HB       SER  48 114.875   9.438   6.357
  331   2HB   SER  48          2HB       SER  48 114.864   9.035   8.073
  332    HG   SER  48           HG       SER  48 116.823   9.774   8.240
  333    H    ARG  49           H        ARG  49 113.760   5.984   7.766
  334    HA   ARG  49           HA       ARG  49 115.045   5.586  10.336
  335   1HB   ARG  49          1HB       ARG  49 112.651   6.048  10.289
  336   2HB   ARG  49          2HB       ARG  49 112.378   4.635   9.278
  337   1HG   ARG  49          1HG       ARG  49 111.760   3.978  11.436
  338   2HG   ARG  49          2HG       ARG  49 113.356   3.270  11.181
  339   1HD   ARG  49          1HD       ARG  49 113.252   4.225  13.392
  340   2HD   ARG  49          2HD       ARG  49 114.357   5.176  12.395
  341    HE   ARG  49           HE       ARG  49 111.890   6.397  12.190
  342   1HH1  ARG  49          1HH1      ARG  49 114.152   5.650  14.740
  343   2HH1  ARG  49          2HH1      ARG  49 113.699   7.010  15.711
  344   1HH2  ARG  49          1HH2      ARG  49 111.293   8.187  13.465
  345   2HH2  ARG  49          2HH2      ARG  49 112.077   8.452  14.987
  346    H    VAL  50           H        VAL  50 114.444   3.807   7.393
  347    HA   VAL  50           HA       VAL  50 115.348   1.313   8.628
  348    HB   VAL  50           HB       VAL  50 114.520   1.683   5.754
  349   1HG1  VAL  50          1HG1      VAL  50 114.218  -0.664   5.732
  350   2HG1  VAL  50          2HG1      VAL  50 114.414  -0.776   7.481
  351   3HG1  VAL  50          3HG1      VAL  50 115.794  -0.363   6.465
  352   1HG2  VAL  50          1HG2      VAL  50 112.337   1.599   6.241
  353   2HG2  VAL  50          2HG2      VAL  50 112.834   2.191   7.828
  354   3HG2  VAL  50          3HG2      VAL  50 112.576   0.467   7.572
  355    H    PHE  51           H        PHE  51 116.257   3.559   6.038
  356    HA   PHE  51           HA       PHE  51 118.766   2.093   5.671
  357   1HB   PHE  51          1HB       PHE  51 117.581   4.335   4.027
  358   2HB   PHE  51          2HB       PHE  51 119.028   3.415   3.626
  359    HD1  PHE  51           HD1      PHE  51 115.779   3.817   2.767
  360    HD2  PHE  51           HD2      PHE  51 118.484   0.710   3.806
  361    HE1  PHE  51           HE1      PHE  51 114.400   2.205   1.513
  362    HE2  PHE  51           HE2      PHE  51 117.112  -0.907   2.552
  363    HZ   PHE  51           HZ       PHE  51 115.074  -0.152   1.403
  364    H    ALA  52           H        ALA  52 117.538   5.262   6.616
  365    HA   ALA  52           HA       ALA  52 118.536   6.915   7.869
  366   1HB   ALA  52          1HB       ALA  52 121.146   5.459   7.802
  367   2HB   ALA  52          2HB       ALA  52 119.839   4.923   8.858
  368   3HB   ALA  52          3HB       ALA  52 120.513   6.544   9.040
  369    H    MET  53           H        MET  53 118.787   6.385   4.867
  370    HA   MET  53           HA       MET  53 120.721   8.526   4.300
  371   1HB   MET  53          1HB       MET  53 120.737   7.055   2.013
  372   2HB   MET  53          2HB       MET  53 121.955   6.959   3.278
  373   1HG   MET  53          1HG       MET  53 121.209   4.955   4.052
  374   2HG   MET  53          2HG       MET  53 119.542   5.263   3.563
  375   1HE   MET  53          1HE       MET  53 119.072   5.750   1.022
  376   2HE   MET  53          2HE       MET  53 119.770   4.788  -0.281
  377   3HE   MET  53          3HE       MET  53 120.628   6.198   0.319
  378    H    SER  54           H        SER  54 120.277   9.697   2.332
  379    HA   SER  54           HA       SER  54 117.542  10.430   2.191
  380   1HB   SER  54          1HB       SER  54 119.985  11.210   0.601
  381   2HB   SER  54          2HB       SER  54 118.384  11.891   0.275
  382    HG   SER  54           HG       SER  54 120.089  12.764   2.016
  383    HA   PRO  55           HA       PRO  55 115.888   7.612  -0.823
  384   1HB   PRO  55          1HB       PRO  55 114.587  10.087  -1.874
  385   2HB   PRO  55          2HB       PRO  55 113.866   8.521  -1.486
  386   1HG   PRO  55          1HG       PRO  55 113.561  10.610   0.145
  387   2HG   PRO  55          2HG       PRO  55 113.783   8.970   0.785
  388   1HD   PRO  55          1HD       PRO  55 115.699  11.246   0.697
  389   2HD   PRO  55          2HD       PRO  55 115.551   9.935   1.887
  390    H    GLU  56           H        GLU  56 117.326  10.691  -1.640
  391    HA   GLU  56           HA       GLU  56 117.757  10.026  -4.409
  392   1HB   GLU  56          1HB       GLU  56 118.832  12.143  -4.588
  393   2HB   GLU  56          2HB       GLU  56 117.464  12.374  -3.506
  394   1HG   GLU  56          1HG       GLU  56 118.916  12.329  -1.584
  395   2HG   GLU  56          2HG       GLU  56 120.308  11.963  -2.609
  396    H    GLU  57           H        GLU  57 119.513   9.906  -1.385
  397    HA   GLU  57           HA       GLU  57 122.097   9.490  -2.323
  398   1HB   GLU  57          1HB       GLU  57 120.678   8.666   0.216
  399   2HB   GLU  57          2HB       GLU  57 122.290   8.051  -0.132
  400   1HG   GLU  57          1HG       GLU  57 121.760  10.978  -0.297
  401   2HG   GLU  57          2HG       GLU  57 121.996  10.203   1.270
  402    H    PHE  58           H        PHE  58 119.653   7.022  -1.479
  403    HA   PHE  58           HA       PHE  58 120.910   4.682  -2.091
  404   1HB   PHE  58          1HB       PHE  58 118.345   5.360  -1.563
  405   2HB   PHE  58          2HB       PHE  58 118.191   4.995  -3.279
  406    HD1  PHE  58           HD1      PHE  58 118.327   3.653   0.023
  407    HD2  PHE  58           HD2      PHE  58 118.992   2.705  -4.073
  408    HE1  PHE  58           HE1      PHE  58 118.145   1.265   0.556
  409    HE2  PHE  58           HE2      PHE  58 118.806   0.310  -3.546
  410    HZ   PHE  58           HZ       PHE  58 118.386  -0.415  -1.230
  411    H    GLY  59           H        GLY  59 118.961   6.429  -4.535
  412   1HA   GLY  59          1HA       GLY  59 119.756   4.947  -6.741
  413   2HA   GLY  59          2HA       GLY  59 119.207   6.615  -6.809
  414    H    LYS  60           H        LYS  60 121.546   7.355  -5.011
  415    HA   LYS  60           HA       LYS  60 123.493   7.562  -7.191
  416   1HB   LYS  60          1HB       LYS  60 123.060   9.165  -4.677
  417   2HB   LYS  60          2HB       LYS  60 124.511   9.335  -5.663
  418   1HG   LYS  60          1HG       LYS  60 123.103   9.941  -7.588
  419   2HG   LYS  60          2HG       LYS  60 121.676   9.834  -6.551
  420   1HD   LYS  60          1HD       LYS  60 122.254  11.721  -5.342
  421   2HD   LYS  60          2HD       LYS  60 123.963  11.589  -5.758
  422   1HE   LYS  60          1HE       LYS  60 123.559  12.349  -7.982
  423   2HE   LYS  60          2HE       LYS  60 121.813  12.240  -7.762
  424   1HZ   LYS  60          1HZ       LYS  60 123.663  14.310  -6.909
  425   2HZ   LYS  60          2HZ       LYS  60 122.448  13.914  -5.801
  426   3HZ   LYS  60          3HZ       LYS  60 122.036  14.428  -7.359
  427    H    LEU  61           H        LEU  61 122.983   5.485  -4.751
  428    HA   LEU  61           HA       LEU  61 125.612   5.396  -3.616
  429   1HB   LEU  61          1HB       LEU  61 123.242   3.528  -3.404
  430   2HB   LEU  61          2HB       LEU  61 124.700   3.396  -2.445
  431    HG   LEU  61           HG       LEU  61 122.628   5.544  -2.332
  432   1HD1  LEU  61          1HD1      LEU  61 123.762   3.859  -0.135
  433   2HD1  LEU  61          2HD1      LEU  61 122.340   3.399  -1.072
  434   3HD1  LEU  61          3HD1      LEU  61 122.325   4.874  -0.107
  435   1HD2  LEU  61          1HD2      LEU  61 124.710   6.715  -2.259
  436   2HD2  LEU  61          2HD2      LEU  61 125.386   5.537  -1.134
  437   3HD2  LEU  61          3HD2      LEU  61 124.086   6.608  -0.612
  438    H    ALA  62           H        ALA  62 125.341   2.331  -3.711
  439    HA   ALA  62           HA       ALA  62 126.374   1.939  -6.434
  440   1HB   ALA  62          1HB       ALA  62 127.512   0.568  -4.008
  441   2HB   ALA  62          2HB       ALA  62 128.176   2.054  -4.686
  442   3HB   ALA  62          3HB       ALA  62 128.152   0.578  -5.650
  443    H    LEU  63           H        LEU  63 126.852  -0.768  -6.339
  444    HA   LEU  63           HA       LEU  63 124.128  -1.801  -6.332
  445   1HB   LEU  63          1HB       LEU  63 125.831  -2.115  -8.213
  446   2HB   LEU  63          2HB       LEU  63 126.605  -3.286  -7.161
  447    HG   LEU  63           HG       LEU  63 123.743  -3.771  -7.452
  448   1HD1  LEU  63          1HD1      LEU  63 125.466  -4.035  -9.908
  449   2HD1  LEU  63          2HD1      LEU  63 124.202  -2.826  -9.683
  450   3HD1  LEU  63          3HD1      LEU  63 123.785  -4.540  -9.734
  451   1HD2  LEU  63          1HD2      LEU  63 124.389  -5.928  -7.279
  452   2HD2  LEU  63          2HD2      LEU  63 125.865  -5.195  -6.651
  453   3HD2  LEU  63          3HD2      LEU  63 125.785  -5.712  -8.335
  454    H    TRP  64           H        TRP  64 127.039  -2.041  -4.498
  455    HA   TRP  64           HA       TRP  64 126.238  -4.439  -3.101
  456   1HB   TRP  64          1HB       TRP  64 128.374  -3.922  -1.836
  457   2HB   TRP  64          2HB       TRP  64 128.582  -4.191  -3.572
  458    HD1  TRP  64           HD1      TRP  64 129.531  -2.183  -4.976
  459    HE1  TRP  64           HE1      TRP  64 130.301   0.195  -4.379
  460    HE3  TRP  64           HE3      TRP  64 127.753  -2.012  -0.312
  461    HZ2  TRP  64           HZ2      TRP  64 130.155   1.924  -2.096
  462    HZ3  TRP  64           HZ3      TRP  64 128.104   0.038   1.051
  463    HH2  TRP  64           HH2      TRP  64 129.266   1.957   0.162
  464    H    LYS  65           H        LYS  65 126.355  -0.997  -2.801
  465    HA   LYS  65           HA       LYS  65 125.710  -0.841  -0.026
  466   1HB   LYS  65          1HB       LYS  65 126.753   1.009  -1.360
  467   2HB   LYS  65          2HB       LYS  65 125.211   1.221  -2.180
  468   1HG   LYS  65          1HG       LYS  65 125.453   2.871  -0.447
  469   2HG   LYS  65          2HG       LYS  65 124.155   1.746  -0.025
  470   1HD   LYS  65          1HD       LYS  65 125.702   0.535   1.449
  471   2HD   LYS  65          2HD       LYS  65 126.982   1.683   1.036
  472   1HE   LYS  65          1HE       LYS  65 124.466   2.880   1.989
  473   2HE   LYS  65          2HE       LYS  65 125.348   1.919   3.185
  474   1HZ   LYS  65          1HZ       LYS  65 125.841   4.495   2.668
  475   2HZ   LYS  65          2HZ       LYS  65 126.968   3.761   1.642
  476   3HZ   LYS  65          3HZ       LYS  65 126.990   3.424   3.299
  477    H    ARG  66           H        ARG  66 123.757  -0.089  -2.922
  478    HA   ARG  66           HA       ARG  66 121.278   0.161  -1.751
  479   1HB   ARG  66          1HB       ARG  66 121.979  -1.077  -4.416
  480   2HB   ARG  66          2HB       ARG  66 120.355  -0.604  -3.940
  481   1HG   ARG  66          1HG       ARG  66 121.072   1.705  -3.732
  482   2HG   ARG  66          2HG       ARG  66 122.715   1.234  -4.165
  483   1HD   ARG  66          1HD       ARG  66 120.984   0.216  -6.163
  484   2HD   ARG  66          2HD       ARG  66 120.528   1.902  -5.874
  485    HE   ARG  66           HE       ARG  66 123.300   1.811  -6.090
  486   1HH1  ARG  66          1HH1      ARG  66 120.512   1.209  -8.099
  487   2HH1  ARG  66          2HH1      ARG  66 121.325   1.623  -9.570
  488   1HH2  ARG  66          1HH2      ARG  66 124.374   2.356  -8.023
  489   2HH2  ARG  66          2HH2      ARG  66 123.518   2.275  -9.527
  490    H    ASN  67           H        ASN  67 122.926  -2.749  -2.820
  491    HA   ASN  67           HA       ASN  67 120.888  -4.600  -2.303
  492   1HB   ASN  67          1HB       ASN  67 123.800  -4.701  -2.715
  493   2HB   ASN  67          2HB       ASN  67 123.161  -6.027  -1.742
  494   1HD2  ASN  67          1HD2      ASN  67 122.669  -4.291  -4.782
  495   2HD2  ASN  67          2HD2      ASN  67 122.098  -5.657  -5.674
  496    H    GLU  68           H        GLU  68 123.726  -3.985  -0.231
  497    HA   GLU  68           HA       GLU  68 122.971  -5.350   2.008
  498   1HB   GLU  68          1HB       GLU  68 124.551  -2.817   1.675
  499   2HB   GLU  68          2HB       GLU  68 124.275  -3.506   3.268
  500   1HG   GLU  68          1HG       GLU  68 125.483  -5.077   1.014
  501   2HG   GLU  68          2HG       GLU  68 126.446  -4.106   2.127
  502    H    LEU  69           H        LEU  69 122.062  -2.019   1.148
  503    HA   LEU  69           HA       LEU  69 120.661  -1.412   3.505
  504   1HB   LEU  69          1HB       LEU  69 120.005  -0.399   0.744
  505   2HB   LEU  69          2HB       LEU  69 119.643   0.375   2.275
  506    HG   LEU  69           HG       LEU  69 122.458  -0.176   1.593
  507   1HD1  LEU  69          1HD1      LEU  69 122.205   0.950  -0.328
  508   2HD1  LEU  69          2HD1      LEU  69 122.197   2.358   0.728
  509   3HD1  LEU  69          3HD1      LEU  69 120.676   1.663   0.176
  510   1HD2  LEU  69          1HD2      LEU  69 120.938   1.711   3.321
  511   2HD2  LEU  69          2HD2      LEU  69 122.556   2.146   2.771
  512   3HD2  LEU  69          3HD2      LEU  69 122.312   0.681   3.722
  513    H    LYS  70           H        LYS  70 119.350  -2.305   0.344
  514    HA   LYS  70           HA       LYS  70 116.709  -2.827   1.208
  515   1HB   LYS  70          1HB       LYS  70 118.348  -3.390  -1.189
  516   2HB   LYS  70          2HB       LYS  70 116.970  -4.455  -0.942
  517   1HG   LYS  70          1HG       LYS  70 115.451  -2.608  -0.980
  518   2HG   LYS  70          2HG       LYS  70 116.785  -1.451  -0.976
  519   1HD   LYS  70          1HD       LYS  70 116.050  -1.547  -3.210
  520   2HD   LYS  70          2HD       LYS  70 117.518  -2.525  -3.162
  521   1HE   LYS  70          1HE       LYS  70 116.356  -4.513  -3.364
  522   2HE   LYS  70          2HE       LYS  70 114.857  -3.818  -2.750
  523   1HZ   LYS  70          1HZ       LYS  70 114.562  -4.135  -5.051
  524   2HZ   LYS  70          2HZ       LYS  70 116.061  -3.451  -5.432
  525   3HZ   LYS  70          3HZ       LYS  70 114.809  -2.473  -4.853
  526    H    LYS  71           H        LYS  71 119.631  -4.567   1.558
  527    HA   LYS  71           HA       LYS  71 118.369  -7.129   2.020
  528   1HB   LYS  71          1HB       LYS  71 121.204  -6.122   1.951
  529   2HB   LYS  71          2HB       LYS  71 120.829  -7.718   2.609
  530   1HG   LYS  71          1HG       LYS  71 119.974  -8.467   0.534
  531   2HG   LYS  71          2HG       LYS  71 119.968  -6.828  -0.127
  532   1HD   LYS  71          1HD       LYS  71 121.936  -7.416  -1.039
  533   2HD   LYS  71          2HD       LYS  71 122.586  -7.132   0.576
  534   1HE   LYS  71          1HE       LYS  71 121.432  -9.798   0.177
  535   2HE   LYS  71          2HE       LYS  71 122.839  -9.454  -0.828
  536   1HZ   LYS  71          1HZ       LYS  71 123.199 -10.455   1.488
  537   2HZ   LYS  71          2HZ       LYS  71 122.889  -8.896   2.068
  538   3HZ   LYS  71          3HZ       LYS  71 124.185  -9.163   1.015
  539    H    LYS  72           H        LYS  72 119.437  -4.400   3.835
  540    HA   LYS  72           HA       LYS  72 119.337  -5.858   6.358
  541   1HB   LYS  72          1HB       LYS  72 121.196  -4.239   5.915
  542   2HB   LYS  72          2HB       LYS  72 120.004  -2.952   5.850
  543   1HG   LYS  72          1HG       LYS  72 120.192  -4.690   8.274
  544   2HG   LYS  72          2HG       LYS  72 121.348  -3.378   8.029
  545   1HD   LYS  72          1HD       LYS  72 118.349  -3.168   8.279
  546   2HD   LYS  72          2HD       LYS  72 119.566  -2.543   9.385
  547   1HE   LYS  72          1HE       LYS  72 118.837  -1.556   6.645
  548   2HE   LYS  72          2HE       LYS  72 118.825  -0.675   8.171
  549   1HZ   LYS  72          1HZ       LYS  72 120.710  -0.001   6.882
  550   2HZ   LYS  72          2HZ       LYS  72 121.220  -1.600   6.678
  551   3HZ   LYS  72          3HZ       LYS  72 121.268  -0.888   8.211
  552    H    ALA  73           H        ALA  73 117.701  -3.520   4.422
  553    HA   ALA  73           HA       ALA  73 115.830  -2.611   6.366
  554   1HB   ALA  73          1HB       ALA  73 116.188  -2.350   3.421
  555   2HB   ALA  73          2HB       ALA  73 116.156  -1.098   4.663
  556   3HB   ALA  73          3HB       ALA  73 114.655  -1.872   4.150
  557    H    GLU  74           H        GLU  74 116.117  -5.625   5.147
  558    HA   GLU  74           HA       GLU  74 114.726  -7.413   5.024
  559   1HB   GLU  74          1HB       GLU  74 112.693  -5.516   6.220
  560   2HB   GLU  74          2HB       GLU  74 112.496  -7.255   6.081
  561   1HG   GLU  74          1HG       GLU  74 114.184  -7.679   7.661
  562   2HG   GLU  74          2HG       GLU  74 114.771  -6.019   7.592
  563    H    LEU  75           H        LEU  75 114.904  -5.252   2.930
  564    HA   LEU  75           HA       LEU  75 112.715  -6.239   1.309
  565   1HB   LEU  75          1HB       LEU  75 112.850  -3.604   0.496
  566   2HB   LEU  75          2HB       LEU  75 111.553  -4.343   1.426
  567    HG   LEU  75           HG       LEU  75 113.619  -3.560   3.202
  568   1HD1  LEU  75          1HD1      LEU  75 112.962  -1.558   1.084
  569   2HD1  LEU  75          2HD1      LEU  75 114.522  -1.947   1.811
  570   3HD1  LEU  75          3HD1      LEU  75 113.323  -1.035   2.733
  571   1HD2  LEU  75          1HD2      LEU  75 111.580  -1.805   3.603
  572   2HD2  LEU  75          2HD2      LEU  75 111.643  -3.444   4.251
  573   3HD2  LEU  75          3HD2      LEU  75 110.765  -3.120   2.756
  574    H    PHE  76           H        PHE  76 114.764  -7.418   0.677
  575    HA   PHE  76           HA       PHE  76 115.973  -5.955  -1.578
  576   1HB   PHE  76          1HB       PHE  76 117.925  -6.198  -0.466
  577   2HB   PHE  76          2HB       PHE  76 117.269  -7.438   0.604
  578    HD1  PHE  76           HD1      PHE  76 117.493  -9.775   0.068
  579    HD2  PHE  76           HD2      PHE  76 118.964  -6.784  -2.576
  580    HE1  PHE  76           HE1      PHE  76 118.773 -11.488  -1.150
  581    HE2  PHE  76           HE2      PHE  76 120.247  -8.491  -3.800
  582    HZ   PHE  76           HZ       PHE  76 120.152 -10.846  -3.087
  Start of MODEL   18
    1    HT1  PRO   9           HT1      PRO   9 102.502  13.584 -11.380
    2    HT2  PRO   9           HT2      PRO   9 102.638  12.030 -10.858
    3    HA   PRO   9           HA       PRO   9 101.790  14.321  -9.572
    4   1HB   PRO   9          1HB       PRO   9 100.230  12.320  -8.326
    5   2HB   PRO   9          2HB       PRO   9  99.650  13.765  -9.164
    6   1HG   PRO   9          1HG       PRO   9  99.957  10.987 -10.173
    7   2HG   PRO   9          2HG       PRO   9  98.754  12.217 -10.605
    8   1HD   PRO   9          1HD       PRO   9 100.741  11.618 -12.278
    9   2HD   PRO   9          2HD       PRO   9 100.207  13.298 -12.078
   10    H    GLY  10           H        GLY  10 102.219  10.790  -9.289
   11   1HA   GLY  10          1HA       GLY  10 104.553  10.335  -8.265
   12   2HA   GLY  10          2HA       GLY  10 103.894  11.240  -6.913
   13    H    LEU  11           H        LEU  11 104.463   9.204  -5.807
   14    HA   LEU  11           HA       LEU  11 102.290   7.241  -6.073
   15   1HB   LEU  11          1HB       LEU  11 104.210   5.888  -4.709
   16   2HB   LEU  11          2HB       LEU  11 103.934   5.773  -6.437
   17    HG   LEU  11           HG       LEU  11 105.656   7.822  -6.443
   18   1HD1  LEU  11          1HD1      LEU  11 105.781   7.771  -3.944
   19   2HD1  LEU  11          2HD1      LEU  11 107.334   7.617  -4.766
   20   3HD1  LEU  11          3HD1      LEU  11 106.554   6.191  -4.078
   21   1HD2  LEU  11          1HD2      LEU  11 107.120   6.354  -7.361
   22   2HD2  LEU  11          2HD2      LEU  11 105.697   5.313  -7.330
   23   3HD2  LEU  11          3HD2      LEU  11 106.920   5.172  -6.068
   24    H    GLN  12           H        GLN  12 101.789   6.071  -4.044
   25    HA   GLN  12           HA       GLN  12 101.536   7.992  -1.878
   26   1HB   GLN  12          1HB       GLN  12 100.246   5.726  -1.008
   27   2HB   GLN  12          2HB       GLN  12  99.491   7.072  -1.847
   28   1HG   GLN  12          1HG       GLN  12  99.627   5.935  -3.935
   29   2HG   GLN  12          2HG       GLN  12 100.624   4.663  -3.240
   30   1HE2  GLN  12          1HE2      GLN  12  98.513   3.819  -4.554
   31   2HE2  GLN  12          2HE2      GLN  12  97.247   3.305  -3.498
   32    H    ILE  13           H        ILE  13 102.417   7.851   0.091
   33    HA   ILE  13           HA       ILE  13 104.517   5.852   0.476
   34    HB   ILE  13           HB       ILE  13 104.029   8.231   2.247
   35   1HG1  ILE  13          1HG1      ILE  13 104.192   8.918  -0.181
   36   2HG1  ILE  13          2HG1      ILE  13 105.434   9.589   0.873
   37   1HG2  ILE  13          1HG2      ILE  13 106.349   6.422   1.673
   38   2HG2  ILE  13          2HG2      ILE  13 105.587   6.790   3.220
   39   3HG2  ILE  13          3HG2      ILE  13 106.575   8.007   2.410
   40   1HD1  ILE  13          1HD1      ILE  13 107.010   7.901   0.083
   41   2HD1  ILE  13          2HD1      ILE  13 106.378   8.885  -1.239
   42   3HD1  ILE  13          3HD1      ILE  13 105.767   7.249  -0.986
   43    H    TYR  14           H        TYR  14 104.608   4.515   2.294
   44    HA   TYR  14           HA       TYR  14 102.408   4.653   4.217
   45   1HB   TYR  14          1HB       TYR  14 103.034   1.916   3.328
   46   2HB   TYR  14          2HB       TYR  14 101.482   2.658   3.692
   47    HD1  TYR  14           HD1      TYR  14 100.042   3.345   1.946
   48    HD2  TYR  14           HD2      TYR  14 104.096   2.389   1.091
   49    HE1  TYR  14           HE1      TYR  14  99.553   3.441  -0.465
   50    HE2  TYR  14           HE2      TYR  14 103.620   2.476  -1.316
   51    HH   TYR  14           HH       TYR  14 101.841   2.365  -2.842
   52    HA   PRO  15           HA       PRO  15 105.140   3.208   7.396
   53   1HB   PRO  15          1HB       PRO  15 103.883   0.508   7.449
   54   2HB   PRO  15          2HB       PRO  15 104.137   1.657   8.770
   55   1HG   PRO  15          1HG       PRO  15 101.712   1.302   7.726
   56   2HG   PRO  15          2HG       PRO  15 102.270   2.914   8.213
   57   1HD   PRO  15          1HD       PRO  15 102.033   1.732   5.479
   58   2HD   PRO  15          2HD       PRO  15 101.727   3.397   6.021
   59    H    TYR  16           H        TYR  16 106.797   1.448   7.949
   60    HA   TYR  16           HA       TYR  16 108.094   0.663   5.489
   61   1HB   TYR  16          1HB       TYR  16 109.661   1.511   6.948
   62   2HB   TYR  16          2HB       TYR  16 108.869   0.829   8.367
   63    HD1  TYR  16           HD1      TYR  16 109.664  -1.115   9.323
   64    HD2  TYR  16           HD2      TYR  16 110.847  -0.131   5.364
   65    HE1  TYR  16           HE1      TYR  16 111.264  -2.987   9.345
   66    HE2  TYR  16           HE2      TYR  16 112.451  -1.994   5.356
   67    HH   TYR  16           HH       TYR  16 112.389  -4.460   7.618
   68    H    GLU  17           H        GLU  17 107.258  -1.049   8.504
   69    HA   GLU  17           HA       GLU  17 107.820  -3.628   7.776
   70   1HB   GLU  17          1HB       GLU  17 106.632  -2.450   9.928
   71   2HB   GLU  17          2HB       GLU  17 105.284  -3.353   9.251
   72   1HG   GLU  17          1HG       GLU  17 106.241  -5.381   9.679
   73   2HG   GLU  17          2HG       GLU  17 107.887  -4.745   9.594
   74    H    MET  18           H        MET  18 105.182  -1.669   6.629
   75    HA   MET  18           HA       MET  18 103.670  -3.903   5.604
   76   1HB   MET  18          1HB       MET  18 103.376  -0.924   5.508
   77   2HB   MET  18          2HB       MET  18 102.430  -1.931   4.422
   78   1HG   MET  18          1HG       MET  18 102.142  -3.102   6.935
   79   2HG   MET  18          2HG       MET  18 102.036  -1.361   7.215
   80   1HE   MET  18          1HE       MET  18  99.817  -0.799   3.962
   81   2HE   MET  18          2HE       MET  18 101.184  -0.201   4.901
   82   3HE   MET  18          3HE       MET  18  99.536   0.085   5.462
   83    H    LEU  19           H        LEU  19 106.292  -2.005   4.500
   84    HA   LEU  19           HA       LEU  19 105.788  -2.789   1.709
   85   1HB   LEU  19          1HB       LEU  19 107.935  -0.881   2.546
   86   2HB   LEU  19          2HB       LEU  19 107.097  -1.000   1.008
   87    HG   LEU  19           HG       LEU  19 105.694  -0.125   3.512
   88   1HD1  LEU  19          1HD1      LEU  19 106.013   2.204   2.524
   89   2HD1  LEU  19          2HD1      LEU  19 107.323   1.496   1.579
   90   3HD1  LEU  19          3HD1      LEU  19 107.400   1.480   3.341
   91   1HD2  LEU  19          1HD2      LEU  19 105.023   0.708   0.742
   92   2HD2  LEU  19          2HD2      LEU  19 103.971   0.488   2.140
   93   3HD2  LEU  19          3HD2      LEU  19 104.595  -0.917   1.274
   94    H    VAL  20           H        VAL  20 107.219  -4.136   4.228
   95    HA   VAL  20           HA       VAL  20 109.863  -4.626   3.309
   96    HB   VAL  20           HB       VAL  20 108.291  -6.399   5.176
   97   1HG1  VAL  20          1HG1      VAL  20 111.170  -5.954   4.567
   98   2HG1  VAL  20          2HG1      VAL  20 110.300  -7.465   4.848
   99   3HG1  VAL  20          3HG1      VAL  20 110.698  -6.405   6.204
  100   1HG2  VAL  20          1HG2      VAL  20 109.182  -4.961   6.988
  101   2HG2  VAL  20          2HG2      VAL  20 108.015  -4.145   5.949
  102   3HG2  VAL  20          3HG2      VAL  20 109.735  -3.824   5.761
  103    H    VAL  21           H        VAL  21 110.704  -6.444   2.256
  104    HA   VAL  21           HA       VAL  21 108.941  -7.551   0.299
  105    HB   VAL  21           HB       VAL  21 111.836  -8.180   0.848
  106   1HG1  VAL  21          1HG1      VAL  21 111.218  -9.897  -0.541
  107   2HG1  VAL  21          2HG1      VAL  21 111.642  -8.664  -1.730
  108   3HG1  VAL  21          3HG1      VAL  21 109.950  -8.954  -1.325
  109   1HG2  VAL  21          1HG2      VAL  21 110.774  -6.315  -1.249
  110   2HG2  VAL  21          2HG2      VAL  21 112.429  -6.498  -0.675
  111   3HG2  VAL  21          3HG2      VAL  21 111.212  -5.765   0.368
  112    H    THR  22           H        THR  22 111.219  -9.309   2.437
  113    HA   THR  22           HA       THR  22 109.372 -11.586   2.316
  114    HB   THR  22           HB       THR  22 112.317 -11.478   2.959
  115    HG1  THR  22           HG1      THR  22 112.222 -11.378   0.831
  116   1HG2  THR  22          1HG2      THR  22 112.329 -13.879   2.931
  117   2HG2  THR  22          2HG2      THR  22 110.590 -13.920   2.635
  118   3HG2  THR  22          3HG2      THR  22 111.210 -13.316   4.173
  119    H    ASN  23           H        ASN  23 111.709 -10.321   4.646
  120    HA   ASN  23           HA       ASN  23 111.154 -11.535   6.916
  121   1HB   ASN  23          1HB       ASN  23 111.439  -8.537   6.710
  122   2HB   ASN  23          2HB       ASN  23 111.753  -9.512   8.147
  123   1HD2  ASN  23          1HD2      ASN  23 112.828  -8.751   4.906
  124   2HD2  ASN  23          2HD2      ASN  23 114.433  -9.363   5.085
  125    H    LYS  24           H        LYS  24 108.966  -9.057   5.598
  126    HA   LYS  24           HA       LYS  24 107.098  -9.744   7.775
  127   1HB   LYS  24          1HB       LYS  24 106.945  -7.180   6.220
  128   2HB   LYS  24          2HB       LYS  24 106.237  -7.560   7.783
  129   1HG   LYS  24          1HG       LYS  24 109.145  -7.099   7.174
  130   2HG   LYS  24          2HG       LYS  24 108.068  -6.061   8.107
  131   1HD   LYS  24          1HD       LYS  24 108.279  -7.308   9.969
  132   2HD   LYS  24          2HD       LYS  24 108.251  -8.829   9.075
  133   1HE   LYS  24          1HE       LYS  24 110.432  -8.979   9.509
  134   2HE   LYS  24          2HE       LYS  24 110.657  -7.679   8.338
  135   1HZ   LYS  24          1HZ       LYS  24 110.769  -6.091  10.016
  136   2HZ   LYS  24          2HZ       LYS  24 111.647  -7.388  10.654
  137   3HZ   LYS  24          3HZ       LYS  24 110.064  -7.102  11.176
  138    H    GLY  25           H        GLY  25 107.390 -11.078   5.136
  139   1HA   GLY  25          1HA       GLY  25 105.093 -12.033   4.448
  140   2HA   GLY  25          2HA       GLY  25 104.801 -10.383   3.918
  141    H    ARG  26           H        ARG  26 104.631 -10.703   1.755
  142    HA   ARG  26           HA       ARG  26 107.100 -11.370   0.371
  143   1HB   ARG  26          1HB       ARG  26 105.561 -12.733  -1.285
  144   2HB   ARG  26          2HB       ARG  26 106.284 -13.495   0.122
  145   1HG   ARG  26          1HG       ARG  26 103.467 -12.436   0.002
  146   2HG   ARG  26          2HG       ARG  26 103.926 -14.117  -0.234
  147   1HD   ARG  26          1HD       ARG  26 105.134 -13.570   2.132
  148   2HD   ARG  26          2HD       ARG  26 103.705 -12.538   2.235
  149    HE   ARG  26           HE       ARG  26 102.648 -14.877   1.470
  150   1HH1  ARG  26          1HH1      ARG  26 104.922 -14.090   4.000
  151   2HH1  ARG  26          2HH1      ARG  26 104.427 -15.396   5.022
  152   1HH2  ARG  26          1HH2      ARG  26 101.996 -16.594   2.816
  153   2HH2  ARG  26          2HH2      ARG  26 102.766 -16.817   4.351
  154    H    THR  27           H        THR  27 103.831 -11.157  -1.000
  155    HA   THR  27           HA       THR  27 104.628  -8.647  -2.271
  156    HB   THR  27           HB       THR  27 103.212 -11.067  -3.255
  157    HG1  THR  27           HG1      THR  27 105.191  -9.319  -4.246
  158   1HG2  THR  27          1HG2      THR  27 101.538  -9.565  -3.830
  159   2HG2  THR  27          2HG2      THR  27 102.513  -9.750  -5.290
  160   3HG2  THR  27          3HG2      THR  27 102.689  -8.306  -4.284
  161    H    LYS  28           H        LYS  28 103.193  -9.308   0.272
  162    HA   LYS  28           HA       LYS  28 100.483  -8.520  -0.023
  163   1HB   LYS  28          1HB       LYS  28 102.338  -8.856   2.305
  164   2HB   LYS  28          2HB       LYS  28 100.691  -8.275   2.523
  165   1HG   LYS  28          1HG       LYS  28 100.964 -10.713   2.895
  166   2HG   LYS  28          2HG       LYS  28  99.781 -10.304   1.652
  167   1HD   LYS  28          1HD       LYS  28 101.531 -10.716  -0.073
  168   2HD   LYS  28          2HD       LYS  28 102.615 -11.246   1.214
  169   1HE   LYS  28          1HE       LYS  28 100.127 -12.546   0.174
  170   2HE   LYS  28          2HE       LYS  28 101.726 -13.245   0.421
  171   1HZ   LYS  28          1HZ       LYS  28 101.186 -12.699   2.905
  172   2HZ   LYS  28          2HZ       LYS  28 100.596 -14.113   2.185
  173   3HZ   LYS  28          3HZ       LYS  28  99.583 -12.770   2.365
  174    H    LEU  29           H        LEU  29 102.750  -6.659  -0.921
  175    HA   LEU  29           HA       LEU  29 102.908  -4.388   0.613
  176   1HB   LEU  29          1HB       LEU  29 103.334  -5.197  -2.164
  177   2HB   LEU  29          2HB       LEU  29 102.977  -3.493  -1.970
  178    HG   LEU  29           HG       LEU  29 104.923  -3.066  -0.900
  179   1HD1  LEU  29          1HD1      LEU  29 106.320  -4.954   0.155
  180   2HD1  LEU  29          2HD1      LEU  29 104.838  -5.901   0.055
  181   3HD1  LEU  29          3HD1      LEU  29 104.871  -4.415   1.004
  182   1HD2  LEU  29          1HD2      LEU  29 106.600  -4.919  -1.953
  183   2HD2  LEU  29          2HD2      LEU  29 105.962  -3.510  -2.799
  184   3HD2  LEU  29          3HD2      LEU  29 105.172  -5.077  -2.980
  185    HA   PRO  30           HA       PRO  30  99.037  -2.259   0.387
  186   1HB   PRO  30          1HB       PRO  30 100.610   0.179  -0.209
  187   2HB   PRO  30          2HB       PRO  30  99.502  -0.143   1.131
  188   1HG   PRO  30          1HG       PRO  30 102.172  -0.047   1.470
  189   2HG   PRO  30          2HG       PRO  30 101.133  -1.130   2.418
  190   1HD   PRO  30          1HD       PRO  30 102.965  -1.766   0.152
  191   2HD   PRO  30          2HD       PRO  30 102.526  -2.739   1.568
  192    HA   PRO  31           HA       PRO  31  98.087  -1.324  -3.848
  193   1HB   PRO  31          1HB       PRO  31  97.088   1.380  -3.457
  194   2HB   PRO  31          2HB       PRO  31  96.181  -0.103  -3.765
  195   1HG   PRO  31          1HG       PRO  31  96.109   1.218  -1.387
  196   2HG   PRO  31          2HG       PRO  31  95.874  -0.533  -1.535
  197   1HD   PRO  31          1HD       PRO  31  98.317   0.990  -0.707
  198   2HD   PRO  31          2HD       PRO  31  97.646  -0.515  -0.041
  199    H    GLY  32           H        GLY  32  99.895  -1.125  -5.093
  200   1HA   GLY  32          1HA       GLY  32 100.974   0.339  -6.684
  201   2HA   GLY  32          2HA       GLY  32 100.932   1.609  -5.473
  202    H    VAL  33           H        VAL  33 101.799  -0.819  -3.613
  203    HA   VAL  33           HA       VAL  33 104.648  -0.251  -3.901
  204    HB   VAL  33           HB       VAL  33 103.827  -1.990  -1.705
  205   1HG1  VAL  33          1HG1      VAL  33 106.004  -0.514  -2.302
  206   2HG1  VAL  33          2HG1      VAL  33 105.576  -1.019  -0.667
  207   3HG1  VAL  33          3HG1      VAL  33 105.142   0.592  -1.236
  208   1HG2  VAL  33          1HG2      VAL  33 102.601   0.694  -2.103
  209   2HG2  VAL  33          2HG2      VAL  33 103.031   0.168  -0.476
  210   3HG2  VAL  33          3HG2      VAL  33 101.896  -0.778  -1.437
  211    H    ASP  34           H        ASP  34 106.044  -1.563  -4.772
  212    HA   ASP  34           HA       ASP  34 105.538  -4.438  -4.820
  213   1HB   ASP  34          1HB       ASP  34 104.749  -3.172  -6.979
  214   2HB   ASP  34          2HB       ASP  34 106.474  -3.125  -7.347
  215    H    ARG  35           H        ARG  35 107.404  -5.703  -5.013
  216    HA   ARG  35           HA       ARG  35 109.666  -4.910  -3.728
  217   1HB   ARG  35          1HB       ARG  35 109.125  -7.059  -5.729
  218   2HB   ARG  35          2HB       ARG  35 110.788  -6.771  -5.237
  219   1HG   ARG  35          1HG       ARG  35 110.175  -8.379  -3.738
  220   2HG   ARG  35          2HG       ARG  35 109.772  -6.921  -2.825
  221   1HD   ARG  35          1HD       ARG  35 107.956  -8.496  -2.653
  222   2HD   ARG  35          2HD       ARG  35 107.439  -7.116  -3.619
  223    HE   ARG  35           HE       ARG  35 107.224  -8.499  -5.435
  224   1HH1  ARG  35          1HH1      ARG  35 108.987 -10.168  -2.927
  225   2HH1  ARG  35          2HH1      ARG  35 108.932 -11.699  -3.734
  226   1HH2  ARG  35          1HH2      ARG  35 107.154 -10.512  -6.499
  227   2HH2  ARG  35          2HH2      ARG  35 107.892 -11.894  -5.762
  228    H    MET  36           H        MET  36 108.858  -4.300  -7.059
  229    HA   MET  36           HA       MET  36 111.304  -3.831  -8.215
  230   1HB   MET  36          1HB       MET  36 108.831  -3.619  -9.112
  231   2HB   MET  36          2HB       MET  36 109.086  -1.913  -8.768
  232   1HG   MET  36          1HG       MET  36 110.562  -1.648 -10.451
  233   2HG   MET  36          2HG       MET  36 111.215  -3.279 -10.279
  234   1HE   MET  36          1HE       MET  36 110.673  -4.528 -13.202
  235   2HE   MET  36          2HE       MET  36 111.555  -3.144 -12.558
  236   3HE   MET  36          3HE       MET  36 110.369  -2.913 -13.843
  237    H    ARG  37           H        ARG  37 109.425  -1.609  -6.176
  238    HA   ARG  37           HA       ARG  37 111.874  -0.092  -5.697
  239   1HB   ARG  37          1HB       ARG  37 110.517   2.055  -5.958
  240   2HB   ARG  37          2HB       ARG  37 111.006   1.235  -7.431
  241   1HG   ARG  37          1HG       ARG  37 108.392   0.406  -6.413
  242   2HG   ARG  37          2HG       ARG  37 108.489   2.105  -6.877
  243   1HD   ARG  37          1HD       ARG  37 108.957   1.613  -9.086
  244   2HD   ARG  37          2HD       ARG  37 109.578   0.007  -8.702
  245    HE   ARG  37           HE       ARG  37 106.953  -0.143  -8.031
  246   1HH1  ARG  37          1HH1      ARG  37 108.651   0.806 -10.928
  247   2HH1  ARG  37          2HH1      ARG  37 107.382   0.295 -11.989
  248   1HH2  ARG  37          1HH2      ARG  37 105.281  -0.812  -9.426
  249   2HH2  ARG  37          2HH2      ARG  37 105.469  -0.622 -11.138
  250    H    LEU  38           H        LEU  38 110.754  -1.818  -3.907
  251    HA   LEU  38           HA       LEU  38 108.831  -0.733  -2.193
  252   1HB   LEU  38          1HB       LEU  38 110.833  -2.897  -2.063
  253   2HB   LEU  38          2HB       LEU  38 110.267  -2.278  -0.515
  254    HG   LEU  38           HG       LEU  38 108.508  -3.360  -2.720
  255   1HD1  LEU  38          1HD1      LEU  38 108.112  -4.950  -0.568
  256   2HD1  LEU  38          2HD1      LEU  38 109.826  -4.579  -0.394
  257   3HD1  LEU  38          3HD1      LEU  38 109.229  -5.314  -1.880
  258   1HD2  LEU  38          1HD2      LEU  38 107.956  -1.664  -0.486
  259   2HD2  LEU  38          2HD2      LEU  38 107.147  -3.217  -0.275
  260   3HD2  LEU  38          3HD2      LEU  38 106.870  -2.268  -1.732
  261    H    GLU  39           H        GLU  39 112.278  -0.182  -2.422
  262    HA   GLU  39           HA       GLU  39 112.374   1.242   0.076
  263   1HB   GLU  39          1HB       GLU  39 114.709   1.668  -0.442
  264   2HB   GLU  39          2HB       GLU  39 114.326  -0.034  -0.643
  265   1HG   GLU  39          1HG       GLU  39 115.665   0.472  -2.458
  266   2HG   GLU  39          2HG       GLU  39 114.030   0.504  -3.115
  267    H    ARG  40           H        ARG  40 110.774   2.058  -2.469
  268    HA   ARG  40           HA       ARG  40 111.688   4.857  -2.481
  269   1HB   ARG  40          1HB       ARG  40 111.484   3.163  -4.639
  270   2HB   ARG  40          2HB       ARG  40 109.961   4.037  -4.697
  271   1HG   ARG  40          1HG       ARG  40 112.224   5.795  -4.232
  272   2HG   ARG  40          2HG       ARG  40 112.376   4.876  -5.731
  273   1HD   ARG  40          1HD       ARG  40 109.767   6.168  -5.117
  274   2HD   ARG  40          2HD       ARG  40 111.103   7.189  -5.648
  275    HE   ARG  40           HE       ARG  40 109.526   5.526  -7.281
  276   1HH1  ARG  40          1HH1      ARG  40 112.853   6.474  -6.810
  277   2HH1  ARG  40          2HH1      ARG  40 113.297   6.192  -8.459
  278   1HH2  ARG  40          1HH2      ARG  40 110.109   5.158  -9.452
  279   2HH2  ARG  40          2HH2      ARG  40 111.740   5.449  -9.961
  280    H    HIS  41           H        HIS  41 109.246   2.659  -1.721
  281    HA   HIS  41           HA       HIS  41 107.071   4.573  -1.802
  282   1HB   HIS  41          1HB       HIS  41 107.370   1.644  -1.333
  283   2HB   HIS  41          2HB       HIS  41 105.964   2.451  -0.653
  284    HD1  HIS  41           HD1      HIS  41 104.530   3.873  -2.529
  285    HD2  HIS  41           HD2      HIS  41 107.057   0.875  -3.902
  286    HE1  HIS  41           HE1      HIS  41 103.747   3.347  -4.859
  287    HE2  HIS  41           HE2      HIS  41 105.223   1.457  -5.628
  288    H    LEU  42           H        LEU  42 109.571   3.934   0.265
  289    HA   LEU  42           HA       LEU  42 108.141   4.149   2.753
  290   1HB   LEU  42          1HB       LEU  42 111.079   4.184   2.073
  291   2HB   LEU  42          2HB       LEU  42 110.439   4.216   3.710
  292    HG   LEU  42           HG       LEU  42 109.404   2.004   2.099
  293   1HD1  LEU  42          1HD1      LEU  42 111.265   0.898   1.553
  294   2HD1  LEU  42          2HD1      LEU  42 112.139   1.445   2.986
  295   3HD1  LEU  42          3HD1      LEU  42 112.011   2.498   1.571
  296   1HD2  LEU  42          1HD2      LEU  42 109.696   0.811   4.100
  297   2HD2  LEU  42          2HD2      LEU  42 109.164   2.426   4.562
  298   3HD2  LEU  42          3HD2      LEU  42 110.865   1.983   4.713
  299    H    SER  43           H        SER  43 108.157   5.902   4.137
  300    HA   SER  43           HA       SER  43 108.435   8.476   2.855
  301   1HB   SER  43          1HB       SER  43 107.815   9.071   5.438
  302   2HB   SER  43          2HB       SER  43 106.617   8.688   4.197
  303    HG   SER  43           HG       SER  43 106.104   7.052   5.392
  304    H    ALA  44           H        ALA  44 109.510  10.276   4.094
  305    HA   ALA  44           HA       ALA  44 112.231   9.844   4.283
  306   1HB   ALA  44          1HB       ALA  44 110.760  11.999   5.788
  307   2HB   ALA  44          2HB       ALA  44 111.086  12.060   4.057
  308   3HB   ALA  44          3HB       ALA  44 112.424  12.036   5.205
  309    H    GLU  45           H        GLU  45 109.777   9.307   6.665
  310    HA   GLU  45           HA       GLU  45 111.626   9.122   8.878
  311   1HB   GLU  45          1HB       GLU  45 109.072   7.783   9.299
  312   2HB   GLU  45          2HB       GLU  45 109.794   9.114  10.183
  313   1HG   GLU  45          1HG       GLU  45 109.021  10.496   8.088
  314   2HG   GLU  45          2HG       GLU  45 107.894   9.154   7.906
  315    H    ASP  46           H        ASP  46 109.591   6.871   7.058
  316    HA   ASP  46           HA       ASP  46 110.550   4.511   8.206
  317   1HB   ASP  46          1HB       ASP  46 109.469   4.914   5.409
  318   2HB   ASP  46          2HB       ASP  46 109.583   3.375   6.263
  319    H    PHE  47           H        PHE  47 111.525   6.137   5.182
  320    HA   PHE  47           HA       PHE  47 113.479   4.331   4.392
  321   1HB   PHE  47          1HB       PHE  47 112.485   6.425   3.195
  322   2HB   PHE  47          2HB       PHE  47 113.829   7.276   3.959
  323    HD1  PHE  47           HD1      PHE  47 113.119   4.255   1.920
  324    HD2  PHE  47           HD2      PHE  47 115.845   7.377   2.871
  325    HE1  PHE  47           HE1      PHE  47 114.625   3.501   0.111
  326    HE2  PHE  47           HE2      PHE  47 117.350   6.631   1.070
  327    HZ   PHE  47           HZ       PHE  47 116.732   4.695  -0.316
  328    H    SER  48           H        SER  48 114.039   7.448   6.028
  329    HA   SER  48           HA       SER  48 116.748   7.008   6.558
  330   1HB   SER  48          1HB       SER  48 116.633   8.915   8.005
  331   2HB   SER  48          2HB       SER  48 115.527   9.213   6.663
  332    HG   SER  48           HG       SER  48 113.812   8.611   8.016
  333    H    ARG  49           H        ARG  49 114.001   5.598   8.012
  334    HA   ARG  49           HA       ARG  49 115.319   5.064  10.542
  335   1HB   ARG  49          1HB       ARG  49 112.941   5.551  10.578
  336   2HB   ARG  49          2HB       ARG  49 112.621   4.227   9.467
  337   1HG   ARG  49          1HG       ARG  49 112.487   2.769  11.129
  338   2HG   ARG  49          2HG       ARG  49 114.047   3.277  11.778
  339   1HD   ARG  49          1HD       ARG  49 113.069   4.395  13.434
  340   2HD   ARG  49          2HD       ARG  49 112.034   5.271  12.301
  341    HE   ARG  49           HE       ARG  49 110.894   2.799  12.496
  342   1HH1  ARG  49          1HH1      ARG  49 111.777   5.282  14.784
  343   2HH1  ARG  49          2HH1      ARG  49 110.513   4.883  15.897
  344   1HH2  ARG  49          1HH2      ARG  49 109.230   2.271  13.960
  345   2HH2  ARG  49          2HH2      ARG  49 109.067   3.171  15.430
  346    H    VAL  50           H        VAL  50 114.639   3.434   7.525
  347    HA   VAL  50           HA       VAL  50 115.564   0.885   8.626
  348    HB   VAL  50           HB       VAL  50 114.647   1.337   5.794
  349   1HG1  VAL  50          1HG1      VAL  50 114.433  -1.152   7.455
  350   2HG1  VAL  50          2HG1      VAL  50 115.887  -0.762   6.537
  351   3HG1  VAL  50          3HG1      VAL  50 114.348  -0.985   5.702
  352   1HG2  VAL  50          1HG2      VAL  50 113.016   1.918   7.857
  353   2HG2  VAL  50          2HG2      VAL  50 112.736   0.185   7.717
  354   3HG2  VAL  50          3HG2      VAL  50 112.460   1.236   6.328
  355    H    PHE  51           H        PHE  51 116.387   3.234   6.099
  356    HA   PHE  51           HA       PHE  51 118.850   1.756   5.542
  357   1HB   PHE  51          1HB       PHE  51 117.596   4.105   4.112
  358   2HB   PHE  51          2HB       PHE  51 119.077   3.287   3.614
  359    HD1  PHE  51           HD1      PHE  51 118.669   0.564   3.562
  360    HD2  PHE  51           HD2      PHE  51 115.779   3.594   2.857
  361    HE1  PHE  51           HE1      PHE  51 117.353  -1.013   2.199
  362    HE2  PHE  51           HE2      PHE  51 114.450   2.021   1.493
  363    HZ   PHE  51           HZ       PHE  51 115.246  -0.282   1.167
  364    H    ALA  52           H        ALA  52 117.731   4.826   6.831
  365    HA   ALA  52           HA       ALA  52 118.812   6.343   8.172
  366   1HB   ALA  52          1HB       ALA  52 121.420   4.933   7.812
  367   2HB   ALA  52          2HB       ALA  52 120.170   4.244   8.848
  368   3HB   ALA  52          3HB       ALA  52 120.826   5.843   9.201
  369    H    MET  53           H        MET  53 118.945   6.062   5.084
  370    HA   MET  53           HA       MET  53 120.781   8.321   4.675
  371   1HB   MET  53          1HB       MET  53 120.833   7.064   2.261
  372   2HB   MET  53          2HB       MET  53 122.076   6.926   3.499
  373   1HG   MET  53          1HG       MET  53 121.456   4.822   4.095
  374   2HG   MET  53          2HG       MET  53 119.766   5.074   3.649
  375   1HE   MET  53          1HE       MET  53 119.100   5.602   1.238
  376   2HE   MET  53          2HE       MET  53 119.823   4.831  -0.175
  377   3HE   MET  53          3HE       MET  53 120.523   6.311   0.469
  378    H    SER  54           H        SER  54 120.290   9.574   2.749
  379    HA   SER  54           HA       SER  54 117.546  10.282   2.715
  380   1HB   SER  54          1HB       SER  54 119.961  11.163   1.144
  381   2HB   SER  54          2HB       SER  54 118.352  11.826   0.827
  382    HG   SER  54           HG       SER  54 118.346  12.297   3.177
  383    HA   PRO  55           HA       PRO  55 115.827   7.664  -0.439
  384   1HB   PRO  55          1HB       PRO  55 114.551  10.201  -1.361
  385   2HB   PRO  55          2HB       PRO  55 113.812   8.628  -1.031
  386   1HG   PRO  55          1HG       PRO  55 113.551  10.652   0.690
  387   2HG   PRO  55          2HG       PRO  55 113.756   8.982   1.257
  388   1HD   PRO  55          1HD       PRO  55 115.707  11.232   1.238
  389   2HD   PRO  55          2HD       PRO  55 115.545   9.883   2.383
  390    H    GLU  56           H        GLU  56 117.311  10.756  -1.097
  391    HA   GLU  56           HA       GLU  56 117.719  10.240  -3.902
  392   1HB   GLU  56          1HB       GLU  56 118.860  12.344  -3.951
  393   2HB   GLU  56          2HB       GLU  56 117.456  12.537  -2.907
  394   1HG   GLU  56          1HG       GLU  56 118.984  13.559  -1.600
  395   2HG   GLU  56          2HG       GLU  56 119.237  11.901  -1.044
  396    H    GLU  57           H        GLU  57 119.485   9.944  -0.895
  397    HA   GLU  57           HA       GLU  57 122.063   9.558  -1.834
  398   1HB   GLU  57          1HB       GLU  57 120.605   8.856   0.650
  399   2HB   GLU  57          2HB       GLU  57 121.959   7.799   0.271
  400   1HG   GLU  57          1HG       GLU  57 122.279  10.768   0.222
  401   2HG   GLU  57          2HG       GLU  57 122.361   9.864   1.733
  402    H    PHE  58           H        PHE  58 119.559   7.075  -1.254
  403    HA   PHE  58           HA       PHE  58 120.839   4.777  -2.023
  404   1HB   PHE  58          1HB       PHE  58 118.262   5.439  -1.458
  405   2HB   PHE  58          2HB       PHE  58 118.127   5.142  -3.188
  406    HD1  PHE  58           HD1      PHE  58 118.835   2.889  -4.080
  407    HD2  PHE  58           HD2      PHE  58 118.349   3.669   0.076
  408    HE1  PHE  58           HE1      PHE  58 118.633   0.475  -3.649
  409    HE2  PHE  58           HE2      PHE  58 118.157   1.260   0.514
  410    HZ   PHE  58           HZ       PHE  58 118.298  -0.344  -1.349
  411    H    GLY  59           H        GLY  59 118.879   6.712  -4.308
  412   1HA   GLY  59          1HA       GLY  59 119.652   5.427  -6.633
  413   2HA   GLY  59          2HA       GLY  59 119.135   7.104  -6.557
  414    H    LYS  60           H        LYS  60 121.470   7.675  -4.718
  415    HA   LYS  60           HA       LYS  60 123.419   8.055  -6.865
  416   1HB   LYS  60          1HB       LYS  60 123.293   9.306  -4.116
  417   2HB   LYS  60          2HB       LYS  60 124.439   9.724  -5.387
  418   1HG   LYS  60          1HG       LYS  60 121.952   9.990  -6.590
  419   2HG   LYS  60          2HG       LYS  60 121.729  10.636  -4.960
  420   1HD   LYS  60          1HD       LYS  60 122.662  12.528  -5.676
  421   2HD   LYS  60          2HD       LYS  60 124.187  11.650  -5.811
  422   1HE   LYS  60          1HE       LYS  60 123.984  11.374  -8.080
  423   2HE   LYS  60          2HE       LYS  60 122.223  11.447  -8.040
  424   1HZ   LYS  60          1HZ       LYS  60 124.159  13.591  -8.273
  425   2HZ   LYS  60          2HZ       LYS  60 122.858  13.911  -7.240
  426   3HZ   LYS  60          3HZ       LYS  60 122.573  13.494  -8.853
  427    H    LEU  61           H        LEU  61 122.875   5.772  -4.573
  428    HA   LEU  61           HA       LEU  61 125.523   5.478  -3.544
  429   1HB   LEU  61          1HB       LEU  61 123.071   3.711  -3.465
  430   2HB   LEU  61          2HB       LEU  61 124.549   3.376  -2.593
  431    HG   LEU  61           HG       LEU  61 122.568   5.548  -2.100
  432   1HD1  LEU  61          1HD1      LEU  61 123.484   3.104  -0.784
  433   2HD1  LEU  61          2HD1      LEU  61 121.925   3.922  -0.715
  434   3HD1  LEU  61          3HD1      LEU  61 123.266   4.494   0.277
  435   1HD2  LEU  61          1HD2      LEU  61 124.144   6.463  -0.429
  436   2HD2  LEU  61          2HD2      LEU  61 124.704   6.672  -2.089
  437   3HD2  LEU  61          3HD2      LEU  61 125.397   5.404  -1.076
  438    H    ALA  62           H        ALA  62 125.262   2.483  -3.895
  439    HA   ALA  62           HA       ALA  62 126.104   2.291  -6.703
  440   1HB   ALA  62          1HB       ALA  62 127.404   0.742  -4.479
  441   2HB   ALA  62          2HB       ALA  62 128.013   2.294  -5.050
  442   3HB   ALA  62          3HB       ALA  62 127.944   0.916  -6.148
  443    H    LEU  63           H        LEU  63 126.472  -0.306  -7.065
  444    HA   LEU  63           HA       LEU  63 123.800  -1.378  -6.870
  445   1HB   LEU  63          1HB       LEU  63 125.379  -1.569  -8.860
  446   2HB   LEU  63          2HB       LEU  63 126.235  -2.788  -7.933
  447    HG   LEU  63           HG       LEU  63 123.414  -3.384  -7.992
  448   1HD1  LEU  63          1HD1      LEU  63 123.263  -2.240 -10.067
  449   2HD1  LEU  63          2HD1      LEU  63 123.343  -3.965 -10.427
  450   3HD1  LEU  63          3HD1      LEU  63 124.771  -2.953 -10.642
  451   1HD2  LEU  63          1HD2      LEU  63 125.418  -5.036  -9.412
  452   2HD2  LEU  63          2HD2      LEU  63 124.170  -5.505  -8.258
  453   3HD2  LEU  63          3HD2      LEU  63 125.668  -4.767  -7.687
  454    H    TRP  64           H        TRP  64 126.823  -1.791  -5.239
  455    HA   TRP  64           HA       TRP  64 126.049  -4.257  -3.959
  456   1HB   TRP  64          1HB       TRP  64 128.246  -3.851  -2.758
  457   2HB   TRP  64          2HB       TRP  64 128.370  -4.014  -4.516
  458    HD1  TRP  64           HD1      TRP  64 129.304  -1.950  -5.829
  459    HE1  TRP  64           HE1      TRP  64 130.144   0.375  -5.129
  460    HE3  TRP  64           HE3      TRP  64 127.712  -2.014  -1.095
  461    HZ2  TRP  64           HZ2      TRP  64 130.123   1.974  -2.751
  462    HZ3  TRP  64           HZ3      TRP  64 128.157  -0.049   0.365
  463    HH2  TRP  64           HH2      TRP  64 129.322   1.894  -0.460
  464    H    LYS  65           H        LYS  65 126.258  -0.843  -3.410
  465    HA   LYS  65           HA       LYS  65 125.730  -0.901  -0.608
  466   1HB   LYS  65          1HB       LYS  65 126.628   1.034  -2.186
  467   2HB   LYS  65          2HB       LYS  65 124.914   1.436  -2.276
  468   1HG   LYS  65          1HG       LYS  65 124.780   1.850   0.032
  469   2HG   LYS  65          2HG       LYS  65 126.333   1.066   0.344
  470   1HD   LYS  65          1HD       LYS  65 127.535   2.843  -0.645
  471   2HD   LYS  65          2HD       LYS  65 126.074   3.533  -1.358
  472   1HE   LYS  65          1HE       LYS  65 126.758   4.846   0.557
  473   2HE   LYS  65          2HE       LYS  65 125.231   4.024   0.902
  474   1HZ   LYS  65          1HZ       LYS  65 127.313   4.006   2.551
  475   2HZ   LYS  65          2HZ       LYS  65 127.648   2.603   1.668
  476   3HZ   LYS  65          3HZ       LYS  65 126.175   2.754   2.485
  477    H    ARG  66           H        ARG  66 123.662   0.101  -3.343
  478    HA   ARG  66           HA       ARG  66 121.244   0.297  -2.058
  479   1HB   ARG  66          1HB       ARG  66 121.825  -0.763  -4.823
  480   2HB   ARG  66          2HB       ARG  66 120.217  -0.337  -4.252
  481   1HG   ARG  66          1HG       ARG  66 120.948   1.955  -3.887
  482   2HG   ARG  66          2HG       ARG  66 122.560   1.524  -4.453
  483   1HD   ARG  66          1HD       ARG  66 120.377   0.812  -6.283
  484   2HD   ARG  66          2HD       ARG  66 120.586   2.549  -6.016
  485    HE   ARG  66           HE       ARG  66 123.094   1.754  -6.530
  486   1HH1  ARG  66          1HH1      ARG  66 120.082   1.155  -8.192
  487   2HH1  ARG  66          2HH1      ARG  66 120.829   1.001  -9.747
  488   1HH2  ARG  66          1HH2      ARG  66 124.074   1.551  -8.575
  489   2HH2  ARG  66          2HH2      ARG  66 123.094   1.225  -9.964
  490    H    ASN  67           H        ASN  67 122.813  -2.559  -3.343
  491    HA   ASN  67           HA       ASN  67 120.770  -4.423  -2.856
  492   1HB   ASN  67          1HB       ASN  67 123.667  -4.518  -3.379
  493   2HB   ASN  67          2HB       ASN  67 123.054  -5.892  -2.460
  494   1HD2  ASN  67          1HD2      ASN  67 122.339  -3.959  -5.343
  495   2HD2  ASN  67          2HD2      ASN  67 121.782  -5.284  -6.303
  496    H    GLU  68           H        GLU  68 123.724  -4.073  -0.908
  497    HA   GLU  68           HA       GLU  68 123.049  -5.516   1.283
  498   1HB   GLU  68          1HB       GLU  68 125.151  -3.964   0.649
  499   2HB   GLU  68          2HB       GLU  68 124.395  -2.942   1.865
  500   1HG   GLU  68          1HG       GLU  68 126.006  -4.277   2.968
  501   2HG   GLU  68          2HG       GLU  68 124.419  -4.906   3.410
  502    H    LEU  69           H        LEU  69 122.090  -2.165   0.622
  503    HA   LEU  69           HA       LEU  69 120.905  -1.667   3.129
  504   1HB   LEU  69          1HB       LEU  69 119.989  -0.513   0.507
  505   2HB   LEU  69          2HB       LEU  69 119.798   0.178   2.105
  506    HG   LEU  69           HG       LEU  69 122.526  -0.319   1.119
  507   1HD1  LEU  69          1HD1      LEU  69 120.699   1.128  -0.395
  508   2HD1  LEU  69          2HD1      LEU  69 122.454   1.134  -0.552
  509   3HD1  LEU  69          3HD1      LEU  69 121.653   2.330   0.461
  510   1HD2  LEU  69          1HD2      LEU  69 122.327   0.452   3.362
  511   2HD2  LEU  69          2HD2      LEU  69 121.215   1.733   2.879
  512   3HD2  LEU  69          3HD2      LEU  69 122.909   1.804   2.390
  513    H    LYS  70           H        LYS  70 119.322  -2.351   0.042
  514    HA   LYS  70           HA       LYS  70 116.763  -2.912   1.060
  515   1HB   LYS  70          1HB       LYS  70 118.250  -3.597  -1.436
  516   2HB   LYS  70          2HB       LYS  70 116.741  -4.435  -1.108
  517   1HG   LYS  70          1HG       LYS  70 115.472  -2.575  -1.425
  518   2HG   LYS  70          2HG       LYS  70 116.747  -1.481  -0.872
  519   1HD   LYS  70          1HD       LYS  70 116.357  -1.212  -3.262
  520   2HD   LYS  70          2HD       LYS  70 117.969  -1.866  -2.965
  521   1HE   LYS  70          1HE       LYS  70 117.385  -3.359  -4.544
  522   2HE   LYS  70          2HE       LYS  70 116.546  -4.149  -3.210
  523   1HZ   LYS  70          1HZ       LYS  70 115.370  -3.467  -5.496
  524   2HZ   LYS  70          2HZ       LYS  70 115.052  -2.075  -4.587
  525   3HZ   LYS  70          3HZ       LYS  70 114.541  -3.587  -4.025
  526    H    LYS  71           H        LYS  71 119.686  -4.718   1.067
  527    HA   LYS  71           HA       LYS  71 118.437  -7.265   1.594
  528   1HB   LYS  71          1HB       LYS  71 121.269  -6.274   1.328
  529   2HB   LYS  71          2HB       LYS  71 120.930  -7.891   1.957
  530   1HG   LYS  71          1HG       LYS  71 119.734  -8.439  -0.089
  531   2HG   LYS  71          2HG       LYS  71 120.036  -6.814  -0.708
  532   1HD   LYS  71          1HD       LYS  71 121.938  -7.577  -1.584
  533   2HD   LYS  71          2HD       LYS  71 122.542  -7.814   0.056
  534   1HE   LYS  71          1HE       LYS  71 121.250  -9.799  -1.782
  535   2HE   LYS  71          2HE       LYS  71 122.807  -9.902  -0.961
  536   1HZ   LYS  71          1HZ       LYS  71 121.541 -11.276   0.328
  537   2HZ   LYS  71          2HZ       LYS  71 120.115 -10.398   0.092
  538   3HZ   LYS  71          3HZ       LYS  71 121.298  -9.817   1.151
  539    H    LYS  72           H        LYS  72 119.820  -4.640   3.397
  540    HA   LYS  72           HA       LYS  72 119.797  -6.179   5.869
  541   1HB   LYS  72          1HB       LYS  72 121.780  -4.872   5.600
  542   2HB   LYS  72          2HB       LYS  72 120.854  -3.444   5.165
  543   1HG   LYS  72          1HG       LYS  72 120.122  -4.434   7.785
  544   2HG   LYS  72          2HG       LYS  72 121.850  -4.084   7.669
  545   1HD   LYS  72          1HD       LYS  72 121.327  -1.943   8.018
  546   2HD   LYS  72          2HD       LYS  72 120.623  -1.935   6.402
  547   1HE   LYS  72          1HE       LYS  72 119.067  -1.079   8.102
  548   2HE   LYS  72          2HE       LYS  72 118.457  -2.529   7.308
  549   1HZ   LYS  72          1HZ       LYS  72 119.967  -3.179   9.631
  550   2HZ   LYS  72          2HZ       LYS  72 118.372  -3.587   9.241
  551   3HZ   LYS  72          3HZ       LYS  72 118.705  -2.118  10.011
  552    H    ALA  73           H        ALA  73 118.052  -3.840   4.096
  553    HA   ALA  73           HA       ALA  73 116.508  -2.811   6.293
  554   1HB   ALA  73          1HB       ALA  73 116.699  -2.360   3.378
  555   2HB   ALA  73          2HB       ALA  73 116.654  -1.197   4.701
  556   3HB   ALA  73          3HB       ALA  73 115.165  -1.966   4.151
  557    H    GLU  74           H        GLU  74 116.490  -5.756   4.897
  558    HA   GLU  74           HA       GLU  74 114.994  -7.473   4.985
  559   1HB   GLU  74          1HB       GLU  74 112.933  -5.527   6.017
  560   2HB   GLU  74          2HB       GLU  74 112.954  -7.270   6.212
  561   1HG   GLU  74          1HG       GLU  74 114.800  -5.276   7.495
  562   2HG   GLU  74          2HG       GLU  74 113.564  -6.255   8.283
  563    H    LEU  75           H        LEU  75 115.040  -5.097   2.893
  564    HA   LEU  75           HA       LEU  75 112.857  -6.236   1.348
  565   1HB   LEU  75          1HB       LEU  75 112.835  -3.605   0.524
  566   2HB   LEU  75          2HB       LEU  75 111.616  -4.417   1.497
  567    HG   LEU  75           HG       LEU  75 113.444  -3.622   3.365
  568   1HD1  LEU  75          1HD1      LEU  75 113.401  -1.610   1.139
  569   2HD1  LEU  75          2HD1      LEU  75 114.797  -2.291   1.977
  570   3HD1  LEU  75          3HD1      LEU  75 113.732  -1.158   2.815
  571   1HD2  LEU  75          1HD2      LEU  75 110.860  -2.577   2.338
  572   2HD2  LEU  75          2HD2      LEU  75 111.731  -1.624   3.542
  573   3HD2  LEU  75          3HD2      LEU  75 111.252  -3.282   3.907
  574    H    PHE  76           H        PHE  76 114.754  -7.377   0.465
  575    HA   PHE  76           HA       PHE  76 115.768  -5.854  -1.841
  576   1HB   PHE  76          1HB       PHE  76 117.780  -6.065  -0.726
  577   2HB   PHE  76          2HB       PHE  76 117.321  -7.582   0.050
  578    HD1  PHE  76           HD1      PHE  76 117.730  -9.685  -1.031
  579    HD2  PHE  76           HD2      PHE  76 118.583  -6.023  -3.027
  580    HE1  PHE  76           HE1      PHE  76 119.003 -10.917  -2.741
  581    HE2  PHE  76           HE2      PHE  76 119.854  -7.249  -4.740
  582    HZ   PHE  76           HZ       PHE  76 120.066  -9.698  -4.598
  Start of MODEL   19
    1    HT1  PRO   9           HT1      PRO   9 102.013  13.359  -5.207
    2    HT2  PRO   9           HT2      PRO   9 103.396  12.996  -4.393
    3    HA   PRO   9           HA       PRO   9 102.951  13.660  -7.037
    4   1HB   PRO   9          1HB       PRO   9 105.532  14.717  -6.568
    5   2HB   PRO   9          2HB       PRO   9 104.105  15.585  -7.150
    6   1HG   PRO   9          1HG       PRO   9 105.183  15.348  -4.390
    7   2HG   PRO   9          2HG       PRO   9 104.328  16.700  -5.153
    8   1HD   PRO   9          1HD       PRO   9 103.095  15.153  -3.368
    9   2HD   PRO   9          2HD       PRO   9 102.232  15.732  -4.805
   10    H    GLY  10           H        GLY  10 103.459  11.711  -7.808
   11   1HA   GLY  10          1HA       GLY  10 105.385  10.302  -8.433
   12   2HA   GLY  10          2HA       GLY  10 105.887  10.393  -6.753
   13    H    LEU  11           H        LEU  11 105.445   8.711  -5.560
   14    HA   LEU  11           HA       LEU  11 103.200   6.980  -6.346
   15   1HB   LEU  11          1HB       LEU  11 104.798   5.341  -4.884
   16   2HB   LEU  11          2HB       LEU  11 104.776   5.423  -6.636
   17    HG   LEU  11           HG       LEU  11 106.614   7.293  -6.210
   18   1HD1  LEU  11          1HD1      LEU  11 108.072   6.390  -4.310
   19   2HD1  LEU  11          2HD1      LEU  11 106.593   5.630  -3.718
   20   3HD1  LEU  11          3HD1      LEU  11 106.681   7.385  -3.879
   21   1HD2  LEU  11          1HD2      LEU  11 106.617   4.819  -7.228
   22   2HD2  LEU  11          2HD2      LEU  11 107.661   4.560  -5.832
   23   3HD2  LEU  11          3HD2      LEU  11 108.080   5.784  -7.031
   24    H    GLN  12           H        GLN  12 102.323   5.662  -4.532
   25    HA   GLN  12           HA       GLN  12 101.684   7.396  -2.336
   26   1HB   GLN  12          1HB       GLN  12 100.529   5.101  -1.572
   27   2HB   GLN  12          2HB       GLN  12  99.809   6.182  -2.756
   28   1HG   GLN  12          1HG       GLN  12 101.633   4.047  -3.727
   29   2HG   GLN  12          2HG       GLN  12 100.022   3.592  -3.178
   30   1HE2  GLN  12          1HE2      GLN  12 101.531   3.912  -5.868
   31   2HE2  GLN  12          2HE2      GLN  12 100.364   4.701  -6.867
   32    H    ILE  13           H        ILE  13 102.425   7.376  -0.300
   33    HA   ILE  13           HA       ILE  13 104.649   5.579   0.298
   34    HB   ILE  13           HB       ILE  13 103.835   7.800   2.121
   35   1HG1  ILE  13          1HG1      ILE  13 103.848   8.733  -0.196
   36   2HG1  ILE  13          2HG1      ILE  13 105.104   9.407   0.840
   37   1HG2  ILE  13          1HG2      ILE  13 106.301   6.260   1.469
   38   2HG2  ILE  13          2HG2      ILE  13 105.601   6.655   3.040
   39   3HG2  ILE  13          3HG2      ILE  13 106.455   7.893   2.120
   40   1HD1  ILE  13          1HD1      ILE  13 105.914   8.942  -1.416
   41   2HD1  ILE  13          2HD1      ILE  13 105.518   7.237  -1.199
   42   3HD1  ILE  13          3HD1      ILE  13 106.762   7.988  -0.198
   43    H    TYR  14           H        TYR  14 104.583   4.048   1.845
   44    HA   TYR  14           HA       TYR  14 102.302   3.992   3.697
   45   1HB   TYR  14          1HB       TYR  14 103.312   1.631   2.092
   46   2HB   TYR  14          2HB       TYR  14 102.035   1.580   3.302
   47    HD1  TYR  14           HD1      TYR  14 102.846   2.198  -0.140
   48    HD2  TYR  14           HD2      TYR  14  99.898   2.863   2.855
   49    HE1  TYR  14           HE1      TYR  14 101.190   2.674  -1.887
   50    HE2  TYR  14           HE2      TYR  14  98.231   3.346   1.114
   51    HH   TYR  14           HH       TYR  14  98.549   2.529  -2.014
   52    HA   PRO  15           HA       PRO  15 104.983   2.934   7.045
   53   1HB   PRO  15          1HB       PRO  15 104.057   0.317   7.630
   54   2HB   PRO  15          2HB       PRO  15 103.549   1.824   8.402
   55   1HG   PRO  15          1HG       PRO  15 102.247   0.275   6.226
   56   2HG   PRO  15          2HG       PRO  15 101.515   1.278   7.491
   57   1HD   PRO  15          1HD       PRO  15 101.649   2.121   4.955
   58   2HD   PRO  15          2HD       PRO  15 101.877   3.248   6.311
   59    H    TYR  16           H        TYR  16 106.633   1.255   7.745
   60    HA   TYR  16           HA       TYR  16 107.987   0.304   5.381
   61   1HB   TYR  16          1HB       TYR  16 109.480   1.316   6.839
   62   2HB   TYR  16          2HB       TYR  16 108.712   0.625   8.268
   63    HD1  TYR  16           HD1      TYR  16 109.319  -1.520   9.078
   64    HD2  TYR  16           HD2      TYR  16 111.014  -0.041   5.476
   65    HE1  TYR  16           HE1      TYR  16 110.999  -3.322   9.139
   66    HE2  TYR  16           HE2      TYR  16 112.700  -1.830   5.509
   67    HH   TYR  16           HH       TYR  16 113.762  -3.320   7.219
   68    H    GLU  17           H        GLU  17 107.211  -1.240   8.516
   69    HA   GLU  17           HA       GLU  17 107.785  -3.840   7.961
   70   1HB   GLU  17          1HB       GLU  17 105.415  -2.777   9.508
   71   2HB   GLU  17          2HB       GLU  17 105.935  -4.456   9.536
   72   1HG   GLU  17          1HG       GLU  17 108.198  -2.855  10.098
   73   2HG   GLU  17          2HG       GLU  17 106.863  -2.270  11.095
   74    H    MET  18           H        MET  18 104.718  -2.215   7.153
   75    HA   MET  18           HA       MET  18 103.562  -4.507   5.930
   76   1HB   MET  18          1HB       MET  18 102.903  -1.588   5.482
   77   2HB   MET  18          2HB       MET  18 101.884  -2.957   5.057
   78   1HG   MET  18          1HG       MET  18 102.226  -3.437   7.677
   79   2HG   MET  18          2HG       MET  18 102.355  -1.675   7.667
   80   1HE   MET  18          1HE       MET  18 100.781  -0.895   8.787
   81   2HE   MET  18          2HE       MET  18  99.368  -1.855   9.224
   82   3HE   MET  18          3HE       MET  18  99.204  -0.503   8.104
   83    H    LEU  19           H        LEU  19 105.685  -1.977   4.866
   84    HA   LEU  19           HA       LEU  19 105.400  -2.634   2.058
   85   1HB   LEU  19          1HB       LEU  19 106.900  -0.601   3.642
   86   2HB   LEU  19          2HB       LEU  19 107.365  -0.915   1.979
   87    HG   LEU  19           HG       LEU  19 104.665   0.039   2.930
   88   1HD1  LEU  19          1HD1      LEU  19 106.613   1.648   2.963
   89   2HD1  LEU  19          2HD1      LEU  19 105.219   2.127   1.993
   90   3HD1  LEU  19          3HD1      LEU  19 106.659   1.480   1.208
   91   1HD2  LEU  19          1HD2      LEU  19 105.555  -1.194   0.452
   92   2HD2  LEU  19          2HD2      LEU  19 104.802   0.382   0.210
   93   3HD2  LEU  19          3HD2      LEU  19 103.923  -0.896   1.047
   94    H    VAL  20           H        VAL  20 106.932  -4.175   4.492
   95    HA   VAL  20           HA       VAL  20 109.564  -4.495   3.516
   96    HB   VAL  20           HB       VAL  20 108.016  -6.507   5.158
   97   1HG1  VAL  20          1HG1      VAL  20 110.899  -6.055   4.548
   98   2HG1  VAL  20          2HG1      VAL  20 109.986  -7.565   4.582
   99   3HG1  VAL  20          3HG1      VAL  20 110.425  -6.759   6.092
  100   1HG2  VAL  20          1HG2      VAL  20 108.550  -5.361   7.091
  101   2HG2  VAL  20          2HG2      VAL  20 108.108  -4.064   5.983
  102   3HG2  VAL  20          3HG2      VAL  20 109.804  -4.407   6.302
  103    H    VAL  21           H        VAL  21 110.493  -6.169   2.280
  104    HA   VAL  21           HA       VAL  21 108.825  -7.075   0.146
  105    HB   VAL  21           HB       VAL  21 111.717  -7.675   0.767
  106   1HG1  VAL  21          1HG1      VAL  21 111.192  -7.923  -1.992
  107   2HG1  VAL  21          2HG1      VAL  21 109.976  -8.880  -1.148
  108   3HG1  VAL  21          3HG1      VAL  21 111.690  -9.180  -0.860
  109   1HG2  VAL  21          1HG2      VAL  21 111.130  -5.295   0.359
  110   2HG2  VAL  21          2HG2      VAL  21 110.541  -5.758  -1.239
  111   3HG2  VAL  21          3HG2      VAL  21 112.243  -5.970  -0.830
  112    H    THR  22           H        THR  22 111.009  -9.028   2.204
  113    HA   THR  22           HA       THR  22 109.169 -11.283   1.806
  114    HB   THR  22           HB       THR  22 112.086 -11.251   2.594
  115    HG1  THR  22           HG1      THR  22 111.785 -10.807   0.420
  116   1HG2  THR  22          1HG2      THR  22 112.015 -13.683   2.181
  117   2HG2  THR  22          2HG2      THR  22 110.258 -13.586   2.095
  118   3HG2  THR  22          3HG2      THR  22 111.090 -13.186   3.597
  119    H    ASN  23           H        ASN  23 111.523 -10.513   4.309
  120    HA   ASN  23           HA       ASN  23 110.853 -11.791   6.452
  121   1HB   ASN  23          1HB       ASN  23 111.167  -8.789   6.520
  122   2HB   ASN  23          2HB       ASN  23 111.448  -9.896   7.866
  123   1HD2  ASN  23          1HD2      ASN  23 112.583  -8.875   4.710
  124   2HD2  ASN  23          2HD2      ASN  23 114.188  -9.495   4.879
  125    H    LYS  24           H        LYS  24 108.990  -8.795   5.771
  126    HA   LYS  24           HA       LYS  24 106.845  -9.944   7.435
  127   1HB   LYS  24          1HB       LYS  24 107.613  -7.057   7.021
  128   2HB   LYS  24          2HB       LYS  24 106.150  -7.576   7.854
  129   1HG   LYS  24          1HG       LYS  24 107.370  -7.507   9.711
  130   2HG   LYS  24          2HG       LYS  24 108.115  -9.000   9.137
  131   1HD   LYS  24          1HD       LYS  24 109.468  -6.953   7.806
  132   2HD   LYS  24          2HD       LYS  24 109.268  -6.369   9.460
  133   1HE   LYS  24          1HE       LYS  24 110.090  -9.172   9.273
  134   2HE   LYS  24          2HE       LYS  24 111.256  -8.037   8.593
  135   1HZ   LYS  24          1HZ       LYS  24 111.648  -7.085  10.609
  136   2HZ   LYS  24          2HZ       LYS  24 111.274  -8.651  11.126
  137   3HZ   LYS  24          3HZ       LYS  24 110.108  -7.432  11.219
  138    H    GLY  25           H        GLY  25 107.231 -10.249   4.491
  139   1HA   GLY  25          1HA       GLY  25 104.585 -10.105   3.683
  140   2HA   GLY  25          2HA       GLY  25 105.319  -8.591   3.181
  141    H    ARG  26           H        ARG  26 104.659  -9.421   1.044
  142    HA   ARG  26           HA       ARG  26 106.894 -10.830  -0.183
  143   1HB   ARG  26          1HB       ARG  26 105.551 -12.703   0.109
  144   2HB   ARG  26          2HB       ARG  26 104.070 -11.801  -0.144
  145   1HG   ARG  26          1HG       ARG  26 105.637 -11.711  -2.532
  146   2HG   ARG  26          2HG       ARG  26 105.481 -13.382  -1.987
  147   1HD   ARG  26          1HD       ARG  26 102.996 -12.833  -1.682
  148   2HD   ARG  26          2HD       ARG  26 103.322 -11.427  -2.683
  149    HE   ARG  26           HE       ARG  26 104.233 -13.896  -3.837
  150   1HH1  ARG  26          1HH1      ARG  26 101.512 -11.742  -3.476
  151   2HH1  ARG  26          2HH1      ARG  26 100.727 -12.290  -4.920
  152   1HH2  ARG  26          1HH2      ARG  26 103.203 -14.618  -5.736
  153   2HH2  ARG  26          2HH2      ARG  26 101.686 -13.924  -6.203
  154    H    THR  27           H        THR  27 103.710 -10.164  -1.504
  155    HA   THR  27           HA       THR  27 104.706  -7.851  -2.944
  156    HB   THR  27           HB       THR  27 104.017 -10.463  -4.119
  157    HG1  THR  27           HG1      THR  27 105.921  -9.989  -4.821
  158   1HG2  THR  27          1HG2      THR  27 102.108  -9.277  -4.947
  159   2HG2  THR  27          2HG2      THR  27 103.273  -9.513  -6.250
  160   3HG2  THR  27          3HG2      THR  27 103.125  -7.935  -5.473
  161    H    LYS  28           H        LYS  28 102.644  -8.842  -0.870
  162    HA   LYS  28           HA       LYS  28 100.174  -7.848  -2.016
  163   1HB   LYS  28          1HB       LYS  28 100.824  -9.088   0.637
  164   2HB   LYS  28          2HB       LYS  28  99.201  -8.684   0.090
  165   1HG   LYS  28          1HG       LYS  28  99.287 -10.925  -0.385
  166   2HG   LYS  28          2HG       LYS  28  99.794 -10.225  -1.923
  167   1HD   LYS  28          1HD       LYS  28 101.225 -12.102  -1.267
  168   2HD   LYS  28          2HD       LYS  28 102.132 -10.588  -1.338
  169   1HE   LYS  28          1HE       LYS  28 102.702 -10.760   0.810
  170   2HE   LYS  28          2HE       LYS  28 101.022 -10.986   1.292
  171   1HZ   LYS  28          1HZ       LYS  28 101.196 -13.301   1.004
  172   2HZ   LYS  28          2HZ       LYS  28 102.589 -12.848   1.850
  173   3HZ   LYS  28          3HZ       LYS  28 102.678 -13.184   0.196
  174    H    LEU  29           H        LEU  29 102.346  -6.026  -1.493
  175    HA   LEU  29           HA       LEU  29 102.048  -4.573   0.895
  176   1HB   LEU  29          1HB       LEU  29 102.581  -2.873  -1.406
  177   2HB   LEU  29          2HB       LEU  29 103.504  -3.062   0.058
  178    HG   LEU  29           HG       LEU  29 103.859  -4.326  -2.611
  179   1HD1  LEU  29          1HD1      LEU  29 105.357  -2.754  -0.687
  180   2HD1  LEU  29          2HD1      LEU  29 105.560  -2.926  -2.430
  181   3HD1  LEU  29          3HD1      LEU  29 106.272  -4.112  -1.339
  182   1HD2  LEU  29          1HD2      LEU  29 105.497  -5.780  -0.869
  183   2HD2  LEU  29          2HD2      LEU  29 104.143  -6.399  -1.808
  184   3HD2  LEU  29          3HD2      LEU  29 103.893  -5.850  -0.150
  185    HA   PRO  30           HA       PRO  30  98.332  -2.173   0.585
  186   1HB   PRO  30          1HB       PRO  30  99.325   0.438   0.167
  187   2HB   PRO  30          2HB       PRO  30  98.907  -0.295   1.719
  188   1HG   PRO  30          1HG       PRO  30 101.564   0.008   0.417
  189   2HG   PRO  30          2HG       PRO  30 101.143   0.024   2.142
  190   1HD   PRO  30          1HD       PRO  30 102.348  -2.084   1.015
  191   2HD   PRO  30          2HD       PRO  30 101.121  -2.292   2.282
  192    HA   PRO  31           HA       PRO  31  97.302  -1.298  -3.615
  193   1HB   PRO  31          1HB       PRO  31  96.516   1.509  -3.183
  194   2HB   PRO  31          2HB       PRO  31  95.533   0.128  -3.687
  195   1HG   PRO  31          1HG       PRO  31  95.297   1.201  -1.239
  196   2HG   PRO  31          2HG       PRO  31  95.122  -0.542  -1.515
  197   1HD   PRO  31          1HD       PRO  31  97.463   0.979  -0.430
  198   2HD   PRO  31          2HD       PRO  31  96.788  -0.577   0.100
  199    H    GLY  32           H        GLY  32  99.087  -1.273  -4.920
  200   1HA   GLY  32          1HA       GLY  32 100.227  -0.059  -6.613
  201   2HA   GLY  32          2HA       GLY  32 100.111   1.381  -5.624
  202    H    VAL  33           H        VAL  33 101.456  -1.841  -4.780
  203    HA   VAL  33           HA       VAL  33 104.102  -0.617  -4.681
  204    HB   VAL  33           HB       VAL  33 103.730  -2.357  -2.450
  205   1HG1  VAL  33          1HG1      VAL  33 104.532   0.459  -2.175
  206   2HG1  VAL  33          2HG1      VAL  33 105.541  -0.592  -3.168
  207   3HG1  VAL  33          3HG1      VAL  33 105.241  -0.998  -1.482
  208   1HG2  VAL  33          1HG2      VAL  33 101.481  -1.262  -2.542
  209   2HG2  VAL  33          2HG2      VAL  33 102.306   0.270  -2.259
  210   3HG2  VAL  33          3HG2      VAL  33 102.391  -1.018  -1.054
  211    H    ASP  34           H        ASP  34 105.782  -1.812  -5.095
  212    HA   ASP  34           HA       ASP  34 105.545  -4.708  -5.288
  213   1HB   ASP  34          1HB       ASP  34 104.974  -3.707  -7.544
  214   2HB   ASP  34          2HB       ASP  34 106.616  -3.067  -7.594
  215    H    ARG  35           H        ARG  35 107.497  -5.751  -4.928
  216    HA   ARG  35           HA       ARG  35 109.420  -4.477  -3.403
  217   1HB   ARG  35          1HB       ARG  35 110.020  -6.910  -5.070
  218   2HB   ARG  35          2HB       ARG  35 110.692  -6.472  -3.507
  219   1HG   ARG  35          1HG       ARG  35 109.191  -7.854  -2.632
  220   2HG   ARG  35          2HG       ARG  35 107.989  -6.615  -3.007
  221   1HD   ARG  35          1HD       ARG  35 107.234  -8.714  -3.883
  222   2HD   ARG  35          2HD       ARG  35 107.684  -7.668  -5.230
  223    HE   ARG  35           HE       ARG  35 109.807  -9.398  -4.381
  224   1HH1  ARG  35          1HH1      ARG  35 106.951  -9.171  -6.373
  225   2HH1  ARG  35          2HH1      ARG  35 107.453 -10.426  -7.455
  226   1HH2  ARG  35          1HH2      ARG  35 110.469 -11.050  -5.803
  227   2HH2  ARG  35          2HH2      ARG  35 109.450 -11.494  -7.131
  228    H    MET  36           H        MET  36 109.090  -4.488  -6.828
  229    HA   MET  36           HA       MET  36 111.632  -4.262  -7.801
  230   1HB   MET  36          1HB       MET  36 109.125  -3.863  -8.819
  231   2HB   MET  36          2HB       MET  36 109.807  -2.245  -8.909
  232   1HG   MET  36          1HG       MET  36 111.821  -3.376 -10.029
  233   2HG   MET  36          2HG       MET  36 110.738  -4.756 -10.244
  234   1HE   MET  36          1HE       MET  36 111.552  -3.057 -13.473
  235   2HE   MET  36          2HE       MET  36 110.287  -4.285 -13.528
  236   3HE   MET  36          3HE       MET  36 111.663  -4.484 -12.442
  237    H    ARG  37           H        ARG  37 109.742  -1.698  -6.232
  238    HA   ARG  37           HA       ARG  37 112.244  -0.235  -5.808
  239   1HB   ARG  37          1HB       ARG  37 110.824   1.903  -6.246
  240   2HB   ARG  37          2HB       ARG  37 111.517   1.027  -7.600
  241   1HG   ARG  37          1HG       ARG  37 108.958  -0.076  -7.082
  242   2HG   ARG  37          2HG       ARG  37 108.801   1.682  -7.103
  243   1HD   ARG  37          1HD       ARG  37 109.439   1.851  -9.298
  244   2HD   ARG  37          2HD       ARG  37 110.401   0.373  -9.244
  245    HE   ARG  37           HE       ARG  37 107.880  -0.540  -8.952
  246   1HH1  ARG  37          1HH1      ARG  37 109.366   1.602 -11.272
  247   2HH1  ARG  37          2HH1      ARG  37 108.297   1.155 -12.557
  248   1HH2  ARG  37          1HH2      ARG  37 106.473  -1.130 -10.643
  249   2HH2  ARG  37          2HH2      ARG  37 106.655  -0.396 -12.201
  250    H    LEU  38           H        LEU  38 110.639  -1.847  -4.022
  251    HA   LEU  38           HA       LEU  38 108.887  -0.495  -2.415
  252   1HB   LEU  38          1HB       LEU  38 110.546  -2.848  -2.235
  253   2HB   LEU  38          2HB       LEU  38 110.405  -2.052  -0.672
  254    HG   LEU  38           HG       LEU  38 108.088  -2.908  -2.412
  255   1HD1  LEU  38          1HD1      LEU  38 109.567  -4.184  -0.176
  256   2HD1  LEU  38          2HD1      LEU  38 108.769  -4.911  -1.572
  257   3HD1  LEU  38          3HD1      LEU  38 107.812  -4.351  -0.200
  258   1HD2  LEU  38          1HD2      LEU  38 107.060  -2.438   0.019
  259   2HD2  LEU  38          2HD2      LEU  38 107.126  -1.237  -1.269
  260   3HD2  LEU  38          3HD2      LEU  38 108.351  -1.239  -0.003
  261    H    GLU  39           H        GLU  39 112.409  -0.272  -2.433
  262    HA   GLU  39           HA       GLU  39 112.581   1.229  -0.029
  263   1HB   GLU  39          1HB       GLU  39 114.856   1.460  -0.454
  264   2HB   GLU  39          2HB       GLU  39 114.452  -0.079  -1.202
  265   1HG   GLU  39          1HG       GLU  39 114.905   2.559  -2.564
  266   2HG   GLU  39          2HG       GLU  39 115.897   1.106  -2.670
  267    H    ARG  40           H        ARG  40 111.002   2.052  -2.701
  268    HA   ARG  40           HA       ARG  40 111.775   4.887  -2.556
  269   1HB   ARG  40          1HB       ARG  40 111.713   3.258  -4.759
  270   2HB   ARG  40          2HB       ARG  40 110.137   4.030  -4.833
  271   1HG   ARG  40          1HG       ARG  40 112.544   5.723  -4.394
  272   2HG   ARG  40          2HG       ARG  40 112.221   5.090  -6.009
  273   1HD   ARG  40          1HD       ARG  40 109.892   6.034  -5.780
  274   2HD   ARG  40          2HD       ARG  40 110.457   6.858  -4.328
  275    HE   ARG  40           HE       ARG  40 111.580   8.356  -5.649
  276   1HH1  ARG  40          1HH1      ARG  40 110.627   5.617  -7.591
  277   2HH1  ARG  40          2HH1      ARG  40 111.084   6.361  -9.087
  278   1HH2  ARG  40          1HH2      ARG  40 112.182   9.335  -7.615
  279   2HH2  ARG  40          2HH2      ARG  40 111.966   8.471  -9.101
  280    H    HIS  41           H        HIS  41 109.420   2.583  -1.876
  281    HA   HIS  41           HA       HIS  41 107.160   4.396  -1.987
  282   1HB   HIS  41          1HB       HIS  41 107.596   1.488  -1.655
  283   2HB   HIS  41          2HB       HIS  41 106.212   2.158  -0.805
  284    HD1  HIS  41           HD1      HIS  41 104.534   3.602  -2.443
  285    HD2  HIS  41           HD2      HIS  41 107.108   0.881  -4.241
  286    HE1  HIS  41           HE1      HIS  41 103.584   3.185  -4.733
  287    HE2  HIS  41           HE2      HIS  41 105.200   1.599  -5.831
  288    H    LEU  42           H        LEU  42 109.646   3.806   0.127
  289    HA   LEU  42           HA       LEU  42 108.157   3.985   2.583
  290   1HB   LEU  42          1HB       LEU  42 111.109   4.100   1.980
  291   2HB   LEU  42          2HB       LEU  42 110.423   4.097   3.598
  292    HG   LEU  42           HG       LEU  42 109.501   1.870   1.942
  293   1HD1  LEU  42          1HD1      LEU  42 112.091   2.454   1.469
  294   2HD1  LEU  42          2HD1      LEU  42 111.412   0.826   1.442
  295   3HD1  LEU  42          3HD1      LEU  42 112.238   1.412   2.889
  296   1HD2  LEU  42          1HD2      LEU  42 109.947   0.643   3.961
  297   2HD2  LEU  42          2HD2      LEU  42 109.099   2.140   4.344
  298   3HD2  LEU  42          3HD2      LEU  42 110.836   2.014   4.628
  299    H    SER  43           H        SER  43 108.002   5.744   3.904
  300    HA   SER  43           HA       SER  43 108.302   8.320   2.654
  301   1HB   SER  43          1HB       SER  43 107.612   8.888   5.234
  302   2HB   SER  43          2HB       SER  43 106.451   8.513   3.955
  303    HG   SER  43           HG       SER  43 106.805   7.205   6.188
  304    H    ALA  44           H        ALA  44 109.329  10.138   3.944
  305    HA   ALA  44           HA       ALA  44 112.041   9.796   4.152
  306   1HB   ALA  44          1HB       ALA  44 110.138  11.825   5.141
  307   2HB   ALA  44          2HB       ALA  44 111.593  12.013   4.162
  308   3HB   ALA  44          3HB       ALA  44 111.726  11.811   5.909
  309    H    GLU  45           H        GLU  45 109.663   9.566   6.767
  310    HA   GLU  45           HA       GLU  45 111.490   9.078   8.852
  311   1HB   GLU  45          1HB       GLU  45 109.361   7.719   9.748
  312   2HB   GLU  45          2HB       GLU  45 109.453   9.473   9.790
  313   1HG   GLU  45          1HG       GLU  45 108.324   8.269   7.342
  314   2HG   GLU  45          2HG       GLU  45 107.365   8.126   8.814
  315    H    ASP  46           H        ASP  46 109.480   6.787   7.032
  316    HA   ASP  46           HA       ASP  46 110.519   4.441   8.062
  317   1HB   ASP  46          1HB       ASP  46 109.178   5.153   5.484
  318   2HB   ASP  46          2HB       ASP  46 109.867   3.539   5.676
  319    H    PHE  47           H        PHE  47 111.488   6.048   5.010
  320    HA   PHE  47           HA       PHE  47 113.559   4.320   4.357
  321   1HB   PHE  47          1HB       PHE  47 112.473   6.288   3.033
  322   2HB   PHE  47          2HB       PHE  47 113.753   7.253   3.771
  323    HD1  PHE  47           HD1      PHE  47 113.221   4.129   1.833
  324    HD2  PHE  47           HD2      PHE  47 115.814   7.373   2.758
  325    HE1  PHE  47           HE1      PHE  47 114.799   3.373   0.090
  326    HE2  PHE  47           HE2      PHE  47 117.390   6.623   1.022
  327    HZ   PHE  47           HZ       PHE  47 116.876   4.625  -0.318
  328    H    SER  48           H        SER  48 113.848   7.508   5.932
  329    HA   SER  48           HA       SER  48 116.586   7.276   6.505
  330   1HB   SER  48          1HB       SER  48 114.917   9.334   6.592
  331   2HB   SER  48          2HB       SER  48 114.824   8.892   8.297
  332    HG   SER  48           HG       SER  48 116.501  10.305   8.126
  333    H    ARG  49           H        ARG  49 113.922   5.708   7.931
  334    HA   ARG  49           HA       ARG  49 115.248   5.339  10.499
  335   1HB   ARG  49          1HB       ARG  49 112.851   5.759  10.531
  336   2HB   ARG  49          2HB       ARG  49 112.569   4.377   9.482
  337   1HG   ARG  49          1HG       ARG  49 112.320   3.112  11.277
  338   2HG   ARG  49          2HG       ARG  49 114.012   3.406  11.686
  339   1HD   ARG  49          1HD       ARG  49 111.624   5.035  12.548
  340   2HD   ARG  49          2HD       ARG  49 112.620   3.990  13.567
  341    HE   ARG  49           HE       ARG  49 114.133   6.053  12.280
  342   1HH1  ARG  49          1HH1      ARG  49 112.078   5.338  15.009
  343   2HH1  ARG  49          2HH1      ARG  49 112.735   6.601  15.994
  344   1HH2  ARG  49          1HH2      ARG  49 114.999   7.713  13.574
  345   2HH2  ARG  49          2HH2      ARG  49 114.394   7.950  15.179
  346    H    VAL  50           H        VAL  50 114.560   3.588   7.550
  347    HA   VAL  50           HA       VAL  50 115.538   1.090   8.705
  348    HB   VAL  50           HB       VAL  50 114.645   1.531   5.859
  349   1HG1  VAL  50          1HG1      VAL  50 114.527  -1.015   7.435
  350   2HG1  VAL  50          2HG1      VAL  50 115.998  -0.520   6.598
  351   3HG1  VAL  50          3HG1      VAL  50 114.512  -0.787   5.687
  352   1HG2  VAL  50          1HG2      VAL  50 112.808   0.252   7.788
  353   2HG2  VAL  50          2HG2      VAL  50 112.461   1.267   6.389
  354   3HG2  VAL  50          3HG2      VAL  50 112.982   2.003   7.905
  355    H    PHE  51           H        PHE  51 116.424   3.482   6.262
  356    HA   PHE  51           HA       PHE  51 118.932   2.032   5.785
  357   1HB   PHE  51          1HB       PHE  51 117.667   4.283   4.215
  358   2HB   PHE  51          2HB       PHE  51 119.160   3.449   3.788
  359    HD1  PHE  51           HD1      PHE  51 118.769   0.730   3.868
  360    HD2  PHE  51           HD2      PHE  51 115.870   3.698   2.953
  361    HE1  PHE  51           HE1      PHE  51 117.486  -0.926   2.571
  362    HE2  PHE  51           HE2      PHE  51 114.576   2.045   1.656
  363    HZ   PHE  51           HZ       PHE  51 115.398  -0.262   1.462
  364    H    ALA  52           H        ALA  52 117.655   5.123   6.874
  365    HA   ALA  52           HA       ALA  52 118.633   6.749   8.170
  366   1HB   ALA  52          1HB       ALA  52 121.271   5.345   7.989
  367   2HB   ALA  52          2HB       ALA  52 119.999   4.776   9.072
  368   3HB   ALA  52          3HB       ALA  52 120.665   6.398   9.267
  369    H    MET  53           H        MET  53 118.871   6.329   5.123
  370    HA   MET  53           HA       MET  53 120.684   8.593   4.655
  371   1HB   MET  53          1HB       MET  53 120.823   7.220   2.307
  372   2HB   MET  53          2HB       MET  53 122.034   7.168   3.584
  373   1HG   MET  53          1HG       MET  53 121.419   5.089   4.285
  374   2HG   MET  53          2HG       MET  53 119.749   5.282   3.747
  375   1HE   MET  53          1HE       MET  53 119.188   5.671   1.300
  376   2HE   MET  53          2HE       MET  53 119.967   4.822  -0.038
  377   3HE   MET  53          3HE       MET  53 120.627   6.350   0.535
  378    H    SER  54           H        SER  54 120.237   9.746   2.664
  379    HA   SER  54           HA       SER  54 117.489  10.419   2.516
  380   1HB   SER  54          1HB       SER  54 119.414  11.995   2.199
  381   2HB   SER  54          2HB       SER  54 119.715  11.228   0.635
  382    HG   SER  54           HG       SER  54 117.388  11.793   0.244
  383    HA   PRO  55           HA       PRO  55 115.886   7.610  -0.537
  384   1HB   PRO  55          1HB       PRO  55 114.612  10.089  -1.613
  385   2HB   PRO  55          2HB       PRO  55 113.882   8.521  -1.249
  386   1HG   PRO  55          1HG       PRO  55 113.537  10.600   0.386
  387   2HG   PRO  55          2HG       PRO  55 113.752   8.957   1.024
  388   1HD   PRO  55          1HD       PRO  55 115.661  11.241   0.983
  389   2HD   PRO  55          2HD       PRO  55 115.495   9.925   2.166
  390    H    GLU  56           H        GLU  56 117.341  10.685  -1.330
  391    HA   GLU  56           HA       GLU  56 117.838  10.021  -4.086
  392   1HB   GLU  56          1HB       GLU  56 118.930  12.140  -4.231
  393   2HB   GLU  56          2HB       GLU  56 117.510  12.367  -3.214
  394   1HG   GLU  56          1HG       GLU  56 119.039  13.499  -1.983
  395   2HG   GLU  56          2HG       GLU  56 119.240  11.889  -1.285
  396    H    GLU  57           H        GLU  57 119.530   9.932  -1.022
  397    HA   GLU  57           HA       GLU  57 122.138   9.536  -1.866
  398   1HB   GLU  57          1HB       GLU  57 120.621   8.947   0.610
  399   2HB   GLU  57          2HB       GLU  57 121.997   7.891   0.328
  400   1HG   GLU  57          1HG       GLU  57 123.098  10.305  -0.193
  401   2HG   GLU  57          2HG       GLU  57 121.910  10.726   1.040
  402    H    PHE  58           H        PHE  58 119.644   7.055  -1.245
  403    HA   PHE  58           HA       PHE  58 120.990   4.739  -1.849
  404   1HB   PHE  58          1HB       PHE  58 118.395   5.364  -1.368
  405   2HB   PHE  58          2HB       PHE  58 118.298   5.004  -3.089
  406    HD1  PHE  58           HD1      PHE  58 119.032   2.739  -3.893
  407    HD2  PHE  58           HD2      PHE  58 118.518   3.651   0.231
  408    HE1  PHE  58           HE1      PHE  58 118.874   0.338  -3.381
  409    HE2  PHE  58           HE2      PHE  58 118.374   1.255   0.752
  410    HZ   PHE  58           HZ       PHE  58 118.552  -0.409  -1.055
  411    H    GLY  59           H        GLY  59 119.054   6.519  -4.275
  412   1HA   GLY  59          1HA       GLY  59 119.916   5.136  -6.514
  413   2HA   GLY  59          2HA       GLY  59 119.362   6.804  -6.534
  414    H    LYS  60           H        LYS  60 121.620   7.513  -4.655
  415    HA   LYS  60           HA       LYS  60 123.630   7.849  -6.750
  416   1HB   LYS  60          1HB       LYS  60 123.113   9.249  -4.136
  417   2HB   LYS  60          2HB       LYS  60 124.618   9.473  -5.024
  418   1HG   LYS  60          1HG       LYS  60 123.151  10.111  -7.011
  419   2HG   LYS  60          2HG       LYS  60 121.832  10.231  -5.840
  420   1HD   LYS  60          1HD       LYS  60 122.980  11.933  -4.617
  421   2HD   LYS  60          2HD       LYS  60 124.451  11.697  -5.561
  422   1HE   LYS  60          1HE       LYS  60 122.168  12.275  -7.250
  423   2HE   LYS  60          2HE       LYS  60 122.434  13.543  -6.052
  424   1HZ   LYS  60          1HZ       LYS  60 123.700  13.430  -8.389
  425   2HZ   LYS  60          2HZ       LYS  60 124.807  12.591  -7.424
  426   3HZ   LYS  60          3HZ       LYS  60 124.353  14.166  -7.012
  427    H    LEU  61           H        LEU  61 123.057   5.644  -4.380
  428    HA   LEU  61           HA       LEU  61 125.679   5.431  -3.273
  429   1HB   LEU  61          1HB       LEU  61 123.243   3.641  -3.193
  430   2HB   LEU  61          2HB       LEU  61 124.708   3.328  -2.292
  431    HG   LEU  61           HG       LEU  61 122.720   5.511  -1.872
  432   1HD1  LEU  61          1HD1      LEU  61 123.586   3.073  -0.516
  433   2HD1  LEU  61          2HD1      LEU  61 122.040   3.918  -0.466
  434   3HD1  LEU  61          3HD1      LEU  61 123.383   4.476   0.533
  435   1HD2  LEU  61          1HD2      LEU  61 124.422   6.194  -0.030
  436   2HD2  LEU  61          2HD2      LEU  61 124.633   6.795  -1.675
  437   3HD2  LEU  61          3HD2      LEU  61 125.604   5.440  -1.100
  438    H    ALA  62           H        ALA  62 125.474   2.421  -3.532
  439    HA   ALA  62           HA       ALA  62 126.391   2.148  -6.307
  440   1HB   ALA  62          1HB       ALA  62 127.653   0.689  -4.006
  441   2HB   ALA  62          2HB       ALA  62 128.254   2.235  -4.601
  442   3HB   ALA  62          3HB       ALA  62 128.237   0.826  -5.662
  443    H    LEU  63           H        LEU  63 126.524  -0.220  -6.961
  444    HA   LEU  63           HA       LEU  63 123.963  -1.383  -6.660
  445   1HB   LEU  63          1HB       LEU  63 125.597  -1.563  -8.613
  446   2HB   LEU  63          2HB       LEU  63 126.400  -2.813  -7.680
  447    HG   LEU  63           HG       LEU  63 123.575  -3.354  -7.814
  448   1HD1  LEU  63          1HD1      LEU  63 124.980  -3.021 -10.459
  449   2HD1  LEU  63          2HD1      LEU  63 123.600  -2.087  -9.880
  450   3HD1  LEU  63          3HD1      LEU  63 123.420  -3.809 -10.217
  451   1HD2  LEU  63          1HD2      LEU  63 124.302  -5.480  -8.108
  452   2HD2  LEU  63          2HD2      LEU  63 125.805  -4.779  -7.507
  453   3HD2  LEU  63          3HD2      LEU  63 125.570  -5.010  -9.240
  454    H    TRP  64           H        TRP  64 126.974  -1.854  -4.981
  455    HA   TRP  64           HA       TRP  64 126.122  -4.317  -3.742
  456   1HB   TRP  64          1HB       TRP  64 128.312  -4.000  -2.517
  457   2HB   TRP  64          2HB       TRP  64 128.455  -4.120  -4.276
  458    HD1  TRP  64           HD1      TRP  64 129.465  -2.051  -5.520
  459    HE1  TRP  64           HE1      TRP  64 130.360   0.229  -4.747
  460    HE3  TRP  64           HE3      TRP  64 127.801  -2.191  -0.814
  461    HZ2  TRP  64           HZ2      TRP  64 130.353   1.765  -2.327
  462    HZ3  TRP  64           HZ3      TRP  64 128.281  -0.281   0.705
  463    HH2  TRP  64           HH2      TRP  64 129.515   1.649  -0.051
  464    H    LYS  65           H        LYS  65 126.410  -0.918  -3.134
  465    HA   LYS  65           HA       LYS  65 125.835  -1.016  -0.338
  466   1HB   LYS  65          1HB       LYS  65 126.837   0.916  -1.857
  467   2HB   LYS  65          2HB       LYS  65 125.142   1.384  -1.967
  468   1HG   LYS  65          1HG       LYS  65 124.981   1.759   0.343
  469   2HG   LYS  65          2HG       LYS  65 126.493   0.902   0.670
  470   1HD   LYS  65          1HD       LYS  65 127.687   2.672  -0.615
  471   2HD   LYS  65          2HD       LYS  65 126.160   3.554  -0.728
  472   1HE   LYS  65          1HE       LYS  65 126.881   4.549   1.160
  473   2HE   LYS  65          2HE       LYS  65 126.270   3.079   1.933
  474   1HZ   LYS  65          1HZ       LYS  65 128.601   3.787   2.533
  475   2HZ   LYS  65          2HZ       LYS  65 129.063   3.320   0.974
  476   3HZ   LYS  65          3HZ       LYS  65 128.419   2.177   2.042
  477    H    ARG  66           H        ARG  66 123.881   0.072  -3.118
  478    HA   ARG  66           HA       ARG  66 121.439   0.373  -1.895
  479   1HB   ARG  66          1HB       ARG  66 122.026  -0.735  -4.644
  480   2HB   ARG  66          2HB       ARG  66 120.445  -0.185  -4.113
  481   1HG   ARG  66          1HG       ARG  66 121.300   2.054  -3.792
  482   2HG   ARG  66          2HG       ARG  66 122.916   1.511  -4.245
  483   1HD   ARG  66          1HD       ARG  66 120.604   1.125  -6.108
  484   2HD   ARG  66          2HD       ARG  66 121.427   2.689  -6.009
  485    HE   ARG  66           HE       ARG  66 123.183   0.437  -6.406
  486   1HH1  ARG  66          1HH1      ARG  66 121.212   2.860  -7.964
  487   2HH1  ARG  66          2HH1      ARG  66 122.090   2.794  -9.455
  488   1HH2  ARG  66          1HH2      ARG  66 124.339   0.350  -8.367
  489   2HH2  ARG  66          2HH2      ARG  66 123.863   1.369  -9.685
  490    H    ASN  67           H        ASN  67 122.920  -2.546  -3.157
  491    HA   ASN  67           HA       ASN  67 120.783  -4.315  -2.713
  492   1HB   ASN  67          1HB       ASN  67 123.671  -4.544  -3.234
  493   2HB   ASN  67          2HB       ASN  67 122.992  -5.896  -2.327
  494   1HD2  ASN  67          1HD2      ASN  67 122.485  -3.933  -5.222
  495   2HD2  ASN  67          2HD2      ASN  67 121.817  -5.204  -6.182
  496    H    GLU  68           H        GLU  68 123.740  -4.119  -0.742
  497    HA   GLU  68           HA       GLU  68 123.027  -5.565   1.420
  498   1HB   GLU  68          1HB       GLU  68 125.145  -4.021   0.843
  499   2HB   GLU  68          2HB       GLU  68 124.378  -3.007   2.059
  500   1HG   GLU  68          1HG       GLU  68 125.901  -4.321   3.239
  501   2HG   GLU  68          2HG       GLU  68 124.333  -5.070   3.534
  502    H    LEU  69           H        LEU  69 122.112  -2.188   0.831
  503    HA   LEU  69           HA       LEU  69 120.897  -1.742   3.330
  504   1HB   LEU  69          1HB       LEU  69 120.037  -0.502   0.727
  505   2HB   LEU  69          2HB       LEU  69 119.839   0.151   2.342
  506    HG   LEU  69           HG       LEU  69 122.573  -0.383   1.397
  507   1HD1  LEU  69          1HD1      LEU  69 120.881   1.053  -0.207
  508   2HD1  LEU  69          2HD1      LEU  69 122.639   1.170  -0.194
  509   3HD1  LEU  69          3HD1      LEU  69 121.670   2.295   0.757
  510   1HD2  LEU  69          1HD2      LEU  69 122.757   0.464   3.482
  511   2HD2  LEU  69          2HD2      LEU  69 121.202   1.291   3.392
  512   3HD2  LEU  69          3HD2      LEU  69 122.624   1.999   2.625
  513    H    LYS  70           H        LYS  70 119.331  -2.322   0.212
  514    HA   LYS  70           HA       LYS  70 116.766  -2.897   1.245
  515   1HB   LYS  70          1HB       LYS  70 118.183  -3.408  -1.331
  516   2HB   LYS  70          2HB       LYS  70 116.692  -4.282  -1.021
  517   1HG   LYS  70          1HG       LYS  70 115.422  -2.311  -0.929
  518   2HG   LYS  70          2HG       LYS  70 116.861  -1.298  -0.770
  519   1HD   LYS  70          1HD       LYS  70 116.186  -1.016  -2.997
  520   2HD   LYS  70          2HD       LYS  70 117.513  -2.176  -3.082
  521   1HE   LYS  70          1HE       LYS  70 114.904  -3.429  -2.719
  522   2HE   LYS  70          2HE       LYS  70 115.023  -2.489  -4.206
  523   1HZ   LYS  70          1HZ       LYS  70 117.178  -3.736  -4.586
  524   2HZ   LYS  70          2HZ       LYS  70 115.749  -4.624  -4.762
  525   3HZ   LYS  70          3HZ       LYS  70 116.678  -4.789  -3.359
  526    H    LYS  71           H        LYS  71 119.672  -4.704   1.151
  527    HA   LYS  71           HA       LYS  71 118.444  -7.297   1.430
  528   1HB   LYS  71          1HB       LYS  71 121.294  -6.292   1.497
  529   2HB   LYS  71          2HB       LYS  71 120.879  -7.978   1.809
  530   1HG   LYS  71          1HG       LYS  71 119.704  -6.880  -0.632
  531   2HG   LYS  71          2HG       LYS  71 121.469  -6.912  -0.624
  532   1HD   LYS  71          1HD       LYS  71 119.783  -9.301   0.097
  533   2HD   LYS  71          2HD       LYS  71 120.335  -8.973  -1.546
  534   1HE   LYS  71          1HE       LYS  71 122.039 -10.317  -0.853
  535   2HE   LYS  71          2HE       LYS  71 122.674  -8.760  -0.322
  536   1HZ   LYS  71          1HZ       LYS  71 122.476 -10.879   1.264
  537   2HZ   LYS  71          2HZ       LYS  71 120.979 -10.158   1.579
  538   3HZ   LYS  71          3HZ       LYS  71 122.405  -9.288   1.835
  539    H    LYS  72           H        LYS  72 119.857  -4.861   3.515
  540    HA   LYS  72           HA       LYS  72 119.607  -6.607   5.831
  541   1HB   LYS  72          1HB       LYS  72 120.851  -4.925   7.058
  542   2HB   LYS  72          2HB       LYS  72 121.701  -5.319   5.571
  543   1HG   LYS  72          1HG       LYS  72 121.875  -3.065   5.487
  544   2HG   LYS  72          2HG       LYS  72 120.315  -3.241   4.676
  545   1HD   LYS  72          1HD       LYS  72 119.487  -3.119   7.228
  546   2HD   LYS  72          2HD       LYS  72 120.958  -2.152   7.348
  547   1HE   LYS  72          1HE       LYS  72 119.253  -1.544   5.033
  548   2HE   LYS  72          2HE       LYS  72 118.531  -1.188   6.602
  549   1HZ   LYS  72          1HZ       LYS  72 119.960   0.487   6.972
  550   2HZ   LYS  72          2HZ       LYS  72 120.139   0.485   5.291
  551   3HZ   LYS  72          3HZ       LYS  72 121.273  -0.308   6.262
  552    H    ALA  73           H        ALA  73 118.055  -4.082   4.182
  553    HA   ALA  73           HA       ALA  73 116.526  -3.082   6.406
  554   1HB   ALA  73          1HB       ALA  73 116.757  -2.509   3.508
  555   2HB   ALA  73          2HB       ALA  73 116.778  -1.405   4.884
  556   3HB   ALA  73          3HB       ALA  73 115.248  -2.068   4.306
  557    H    GLU  74           H        GLU  74 116.418  -5.953   4.877
  558    HA   GLU  74           HA       GLU  74 114.861  -7.614   4.816
  559   1HB   GLU  74          1HB       GLU  74 112.922  -5.658   6.056
  560   2HB   GLU  74          2HB       GLU  74 112.809  -7.409   6.057
  561   1HG   GLU  74          1HG       GLU  74 115.038  -5.900   7.389
  562   2HG   GLU  74          2HG       GLU  74 113.547  -6.363   8.209
  563    H    LEU  75           H        LEU  75 114.999  -5.145   2.876
  564    HA   LEU  75           HA       LEU  75 112.714  -6.043   1.313
  565   1HB   LEU  75          1HB       LEU  75 112.852  -3.382   0.626
  566   2HB   LEU  75          2HB       LEU  75 111.617  -4.142   1.621
  567    HG   LEU  75           HG       LEU  75 113.624  -3.557   3.406
  568   1HD1  LEU  75          1HD1      LEU  75 114.942  -2.173   2.107
  569   2HD1  LEU  75          2HD1      LEU  75 113.854  -1.027   2.893
  570   3HD1  LEU  75          3HD1      LEU  75 113.559  -1.522   1.223
  571   1HD2  LEU  75          1HD2      LEU  75 110.979  -2.485   2.677
  572   2HD2  LEU  75          2HD2      LEU  75 111.977  -1.458   3.707
  573   3HD2  LEU  75          3HD2      LEU  75 111.571  -3.095   4.222
  574    H    PHE  76           H        PHE  76 114.680  -7.236   0.434
  575    HA   PHE  76           HA       PHE  76 115.742  -5.647  -1.808
  576   1HB   PHE  76          1HB       PHE  76 117.759  -6.044  -0.833
  577   2HB   PHE  76          2HB       PHE  76 117.166  -7.433   0.079
  578    HD1  PHE  76           HD1      PHE  76 117.186  -9.661  -0.915
  579    HD2  PHE  76           HD2      PHE  76 118.700  -6.288  -3.022
  580    HE1  PHE  76           HE1      PHE  76 118.312 -11.164  -2.507
  581    HE2  PHE  76           HE2      PHE  76 119.828  -7.784  -4.616
  582    HZ   PHE  76           HZ       PHE  76 119.635 -10.225  -4.360
  Start of MODEL   20
    1    HT1  PRO   9           HT1      PRO   9 102.311  13.730  -5.665
    2    HT2  PRO   9           HT2      PRO   9 103.287  12.406  -5.721
    3    HA   PRO   9           HA       PRO   9 102.651  13.991  -7.665
    4   1HB   PRO   9          1HB       PRO   9 105.488  14.573  -7.676
    5   2HB   PRO   9          2HB       PRO   9 104.123  15.681  -7.865
    6   1HG   PRO   9          1HG       PRO   9 105.721  15.638  -5.656
    7   2HG   PRO   9          2HG       PRO   9 104.023  16.149  -5.628
    8   1HD   PRO   9          1HD       PRO   9 105.221  13.507  -4.849
    9   2HD   PRO   9          2HD       PRO   9 103.971  14.458  -4.024
   10    H    GLY  10           H        GLY  10 105.369  12.135  -6.336
   11   1HA   GLY  10          1HA       GLY  10 105.830  10.802  -8.875
   12   2HA   GLY  10          2HA       GLY  10 106.725  10.550  -7.386
   13    H    LEU  11           H        LEU  11 106.113   9.006  -5.975
   14    HA   LEU  11           HA       LEU  11 103.942   7.239  -6.873
   15   1HB   LEU  11          1HB       LEU  11 105.265   5.414  -5.809
   16   2HB   LEU  11          2HB       LEU  11 105.980   6.116  -7.246
   17    HG   LEU  11           HG       LEU  11 107.098   7.586  -5.176
   18   1HD1  LEU  11          1HD1      LEU  11 106.056   5.615  -3.781
   19   2HD1  LEU  11          2HD1      LEU  11 107.664   6.242  -3.420
   20   3HD1  LEU  11          3HD1      LEU  11 107.485   4.756  -4.354
   21   1HD2  LEU  11          1HD2      LEU  11 108.471   5.156  -6.204
   22   2HD2  LEU  11          2HD2      LEU  11 109.076   6.802  -6.015
   23   3HD2  LEU  11          3HD2      LEU  11 107.989   6.409  -7.347
   24    H    GLN  12           H        GLN  12 103.023   5.867  -5.125
   25    HA   GLN  12           HA       GLN  12 102.258   7.529  -2.914
   26   1HB   GLN  12          1HB       GLN  12 101.082   5.262  -2.238
   27   2HB   GLN  12          2HB       GLN  12 100.453   6.262  -3.538
   28   1HG   GLN  12          1HG       GLN  12 102.425   4.184  -4.276
   29   2HG   GLN  12          2HG       GLN  12 100.826   3.638  -3.773
   30   1HE2  GLN  12          1HE2      GLN  12  99.113   3.917  -5.108
   31   2HE2  GLN  12          2HE2      GLN  12  99.226   4.579  -6.699
   32    H    ILE  13           H        ILE  13 102.762   7.331  -0.776
   33    HA   ILE  13           HA       ILE  13 104.921   5.441  -0.123
   34    HB   ILE  13           HB       ILE  13 104.410   8.145   1.120
   35   1HG1  ILE  13          1HG1      ILE  13 106.196   7.222  -1.106
   36   2HG1  ILE  13          2HG1      ILE  13 105.203   8.675  -1.004
   37   1HG2  ILE  13          1HG2      ILE  13 105.518   6.278   2.489
   38   2HG2  ILE  13          2HG2      ILE  13 106.333   7.840   2.402
   39   3HG2  ILE  13          3HG2      ILE  13 106.895   6.495   1.410
   40   1HD1  ILE  13          1HD1      ILE  13 107.965   8.204  -0.152
   41   2HD1  ILE  13          2HD1      ILE  13 106.980   9.120   0.989
   42   3HD1  ILE  13          3HD1      ILE  13 107.168   9.689  -0.669
   43    H    TYR  14           H        TYR  14 104.528   3.992   1.407
   44    HA   TYR  14           HA       TYR  14 102.353   4.492   3.330
   45   1HB   TYR  14          1HB       TYR  14 103.029   1.792   2.153
   46   2HB   TYR  14          2HB       TYR  14 101.644   2.207   3.158
   47    HD1  TYR  14           HD1      TYR  14 103.124   2.549  -0.200
   48    HD2  TYR  14           HD2      TYR  14  99.682   3.187   2.218
   49    HE1  TYR  14           HE1      TYR  14 101.791   2.977  -2.219
   50    HE2  TYR  14           HE2      TYR  14  98.339   3.619   0.205
   51    HH   TYR  14           HH       TYR  14  99.127   2.748  -2.752
   52    HA   PRO  15           HA       PRO  15 104.827   3.344   6.806
   53   1HB   PRO  15          1HB       PRO  15 103.306   0.778   7.030
   54   2HB   PRO  15          2HB       PRO  15 103.683   1.977   8.278
   55   1HG   PRO  15          1HG       PRO  15 101.251   1.874   7.223
   56   2HG   PRO  15          2HG       PRO  15 102.018   3.437   7.562
   57   1HD   PRO  15          1HD       PRO  15 101.616   2.045   4.956
   58   2HD   PRO  15          2HD       PRO  15 101.581   3.782   5.325
   59    H    TYR  16           H        TYR  16 106.300   1.571   7.676
   60    HA   TYR  16           HA       TYR  16 107.713   0.424   5.441
   61   1HB   TYR  16          1HB       TYR  16 109.135   1.434   7.006
   62   2HB   TYR  16          2HB       TYR  16 108.275   0.735   8.378
   63    HD1  TYR  16           HD1      TYR  16 108.567  -1.645   8.919
   64    HD2  TYR  16           HD2      TYR  16 110.915   0.265   5.942
   65    HE1  TYR  16           HE1      TYR  16 110.189  -3.500   9.020
   66    HE2  TYR  16           HE2      TYR  16 112.545  -1.576   6.020
   67    HH   TYR  16           HH       TYR  16 112.839  -3.652   8.421
   68    H    GLU  17           H        GLU  17 106.504  -0.871   8.546
   69    HA   GLU  17           HA       GLU  17 106.919  -3.542   8.217
   70   1HB   GLU  17          1HB       GLU  17 104.807  -1.955   9.582
   71   2HB   GLU  17          2HB       GLU  17 104.507  -3.676   9.382
   72   1HG   GLU  17          1HG       GLU  17 106.633  -4.162  10.509
   73   2HG   GLU  17          2HG       GLU  17 106.885  -2.430  10.745
   74    H    MET  18           H        MET  18 104.067  -1.768   7.008
   75    HA   MET  18           HA       MET  18 102.903  -4.028   5.746
   76   1HB   MET  18          1HB       MET  18 102.509  -1.070   5.252
   77   2HB   MET  18          2HB       MET  18 101.514  -2.336   4.545
   78   1HG   MET  18          1HG       MET  18 101.360  -2.970   7.172
   79   2HG   MET  18          2HG       MET  18 101.510  -1.214   7.255
   80   1HE   MET  18          1HE       MET  18  97.654  -1.943   7.746
   81   2HE   MET  18          2HE       MET  18  99.123  -1.326   8.502
   82   3HE   MET  18          3HE       MET  18  98.940  -3.057   8.212
   83    H    LEU  19           H        LEU  19 105.292  -1.688   4.807
   84    HA   LEU  19           HA       LEU  19 105.242  -2.435   2.012
   85   1HB   LEU  19          1HB       LEU  19 106.812  -0.511   3.677
   86   2HB   LEU  19          2HB       LEU  19 107.356  -0.919   2.059
   87    HG   LEU  19           HG       LEU  19 104.684   0.298   2.760
   88   1HD1  LEU  19          1HD1      LEU  19 106.976   1.566   1.283
   89   2HD1  LEU  19          2HD1      LEU  19 106.726   1.756   3.018
   90   3HD1  LEU  19          3HD1      LEU  19 105.505   2.333   1.882
   91   1HD2  LEU  19          1HD2      LEU  19 105.783  -0.928   0.335
   92   2HD2  LEU  19          2HD2      LEU  19 105.040   0.655   0.099
   93   3HD2  LEU  19          3HD2      LEU  19 104.108  -0.661   0.816
   94    H    VAL  20           H        VAL  20 106.542  -3.789   4.771
   95    HA   VAL  20           HA       VAL  20 109.132  -4.502   4.175
   96    HB   VAL  20           HB       VAL  20 107.053  -6.240   5.512
   97   1HG1  VAL  20          1HG1      VAL  20 109.005  -7.223   6.659
   98   2HG1  VAL  20          2HG1      VAL  20 110.059  -6.333   5.564
   99   3HG1  VAL  20          3HG1      VAL  20 108.966  -7.568   4.930
  100   1HG2  VAL  20          1HG2      VAL  20 107.593  -5.232   7.526
  101   2HG2  VAL  20          2HG2      VAL  20 107.540  -3.877   6.398
  102   3HG2  VAL  20          3HG2      VAL  20 109.090  -4.546   6.896
  103    H    VAL  21           H        VAL  21 110.031  -6.544   3.360
  104    HA   VAL  21           HA       VAL  21 108.552  -7.386   0.974
  105    HB   VAL  21           HB       VAL  21 111.475  -7.721   1.631
  106   1HG1  VAL  21          1HG1      VAL  21 111.141  -9.334   0.039
  107   2HG1  VAL  21          2HG1      VAL  21 111.450  -7.936  -0.993
  108   3HG1  VAL  21          3HG1      VAL  21 109.794  -8.474  -0.709
  109   1HG2  VAL  21          1HG2      VAL  21 110.825  -5.376   1.428
  110   2HG2  VAL  21          2HG2      VAL  21 110.122  -5.708  -0.151
  111   3HG2  VAL  21          3HG2      VAL  21 111.858  -5.880   0.092
  112    H    THR  22           H        THR  22 110.937  -9.025   3.082
  113    HA   THR  22           HA       THR  22 109.423 -11.507   2.672
  114    HB   THR  22           HB       THR  22 112.299 -11.054   3.459
  115    HG1  THR  22           HG1      THR  22 112.737 -11.754   1.430
  116   1HG2  THR  22          1HG2      THR  22 112.420 -13.129   4.204
  117   2HG2  THR  22          2HG2      THR  22 111.902 -13.705   2.619
  118   3HG2  THR  22          3HG2      THR  22 110.705 -13.379   3.873
  119    H    ASN  23           H        ASN  23 111.471 -10.189   5.257
  120    HA   ASN  23           HA       ASN  23 110.860 -11.751   7.325
  121   1HB   ASN  23          1HB       ASN  23 111.078  -9.686   8.822
  122   2HB   ASN  23          2HB       ASN  23 112.419 -10.065   7.743
  123   1HD2  ASN  23          1HD2      ASN  23 112.456  -8.874   5.659
  124   2HD2  ASN  23          2HD2      ASN  23 111.909  -7.239   5.656
  125    H    LYS  24           H        LYS  24 108.557  -9.490   5.947
  126    HA   LYS  24           HA       LYS  24 106.651 -10.306   8.048
  127   1HB   LYS  24          1HB       LYS  24 107.188  -7.689   6.837
  128   2HB   LYS  24          2HB       LYS  24 105.481  -8.105   6.907
  129   1HG   LYS  24          1HG       LYS  24 105.687  -7.107   8.926
  130   2HG   LYS  24          2HG       LYS  24 106.126  -8.751   9.393
  131   1HD   LYS  24          1HD       LYS  24 108.252  -6.868   8.472
  132   2HD   LYS  24          2HD       LYS  24 107.619  -6.725  10.112
  133   1HE   LYS  24          1HE       LYS  24 108.064  -9.440   9.802
  134   2HE   LYS  24          2HE       LYS  24 109.431  -8.690   8.978
  135   1HZ   LYS  24          1HZ       LYS  24 108.703  -7.639  11.605
  136   2HZ   LYS  24          2HZ       LYS  24 110.229  -7.817  10.897
  137   3HZ   LYS  24          3HZ       LYS  24 109.442  -9.161  11.558
  138    H    GLY  25           H        GLY  25 107.306 -11.675   5.514
  139   1HA   GLY  25          1HA       GLY  25 105.260 -12.974   4.671
  140   2HA   GLY  25          2HA       GLY  25 104.748 -11.401   4.079
  141    H    ARG  26           H        ARG  26 105.134 -11.086   1.996
  142    HA   ARG  26           HA       ARG  26 107.679 -11.821   0.858
  143   1HB   ARG  26          1HB       ARG  26 106.725 -13.086  -0.998
  144   2HB   ARG  26          2HB       ARG  26 106.429 -13.884   0.529
  145   1HG   ARG  26          1HG       ARG  26 104.426 -12.238  -1.007
  146   2HG   ARG  26          2HG       ARG  26 104.511 -13.996  -0.986
  147   1HD   ARG  26          1HD       ARG  26 103.857 -12.160   1.309
  148   2HD   ARG  26          2HD       ARG  26 102.802 -13.334   0.534
  149    HE   ARG  26           HE       ARG  26 105.193 -14.398   1.790
  150   1HH1  ARG  26          1HH1      ARG  26 101.778 -13.731   2.084
  151   2HH1  ARG  26          2HH1      ARG  26 101.538 -14.884   3.352
  152   1HH2  ARG  26          1HH2      ARG  26 104.876 -15.909   3.460
  153   2HH2  ARG  26          2HH2      ARG  26 103.295 -16.118   4.135
  154    H    THR  27           H        THR  27 104.388 -10.698   0.070
  155    HA   THR  27           HA       THR  27 105.584  -8.387  -1.222
  156    HB   THR  27           HB       THR  27 103.781 -10.415  -2.432
  157    HG1  THR  27           HG1      THR  27 106.036 -10.001  -3.001
  158   1HG2  THR  27          1HG2      THR  27 102.237  -8.743  -2.710
  159   2HG2  THR  27          2HG2      THR  27 103.185  -8.646  -4.192
  160   3HG2  THR  27          3HG2      THR  27 103.457  -7.485  -2.891
  161    H    LYS  28           H        LYS  28 102.207  -9.416  -1.038
  162    HA   LYS  28           HA       LYS  28 100.371  -8.312  -0.245
  163   1HB   LYS  28          1HB       LYS  28 102.309  -8.431   2.040
  164   2HB   LYS  28          2HB       LYS  28 100.647  -7.890   2.246
  165   1HG   LYS  28          1HG       LYS  28 100.792 -10.201   2.847
  166   2HG   LYS  28          2HG       LYS  28  99.868 -10.055   1.350
  167   1HD   LYS  28          1HD       LYS  28 102.711 -10.363   0.841
  168   2HD   LYS  28          2HD       LYS  28 102.059 -11.698   1.799
  169   1HE   LYS  28          1HE       LYS  28 100.743 -10.718  -0.723
  170   2HE   LYS  28          2HE       LYS  28 101.988 -11.966  -0.726
  171   1HZ   LYS  28          1HZ       LYS  28 100.293 -13.365  -0.438
  172   2HZ   LYS  28          2HZ       LYS  28  99.218 -12.143   0.019
  173   3HZ   LYS  28          3HZ       LYS  28 100.253 -12.830   1.166
  174    H    LEU  29           H        LEU  29 102.573  -6.523  -1.390
  175    HA   LEU  29           HA       LEU  29 102.757  -4.156   0.040
  176   1HB   LEU  29          1HB       LEU  29 103.148  -5.034  -2.732
  177   2HB   LEU  29          2HB       LEU  29 102.905  -3.319  -2.519
  178    HG   LEU  29           HG       LEU  29 105.214  -3.671  -2.550
  179   1HD1  LEU  29          1HD1      LEU  29 104.404  -3.457   0.350
  180   2HD1  LEU  29          2HD1      LEU  29 104.475  -2.124  -0.800
  181   3HD1  LEU  29          3HD1      LEU  29 105.950  -2.966  -0.332
  182   1HD2  LEU  29          1HD2      LEU  29 104.764  -6.178  -1.850
  183   2HD2  LEU  29          2HD2      LEU  29 105.257  -5.554  -0.277
  184   3HD2  LEU  29          3HD2      LEU  29 106.342  -5.417  -1.659
  185    HA   PRO  30           HA       PRO  30  98.807  -2.172  -0.284
  186   1HB   PRO  30          1HB       PRO  30 100.382   0.314  -0.672
  187   2HB   PRO  30          2HB       PRO  30  99.170  -0.067   0.560
  188   1HG   PRO  30          1HG       PRO  30 101.784   0.042   1.148
  189   2HG   PRO  30          2HG       PRO  30 100.700  -1.126   1.927
  190   1HD   PRO  30          1HD       PRO  30 102.710  -1.556  -0.238
  191   2HD   PRO  30          2HD       PRO  30 102.239  -2.624   1.097
  192    HA   PRO  31           HA       PRO  31  98.101  -1.102  -4.531
  193   1HB   PRO  31          1HB       PRO  31  97.201   1.647  -4.134
  194   2HB   PRO  31          2HB       PRO  31  96.260   0.217  -4.575
  195   1HG   PRO  31          1HG       PRO  31  96.037   1.436  -2.163
  196   2HG   PRO  31          2HG       PRO  31  95.786  -0.304  -2.389
  197   1HD   PRO  31          1HD       PRO  31  98.184   1.144  -1.329
  198   2HD   PRO  31          2HD       PRO  31  97.439  -0.366  -0.764
  199    H    GLY  32           H        GLY  32  99.976  -0.973  -5.687
  200   1HA   GLY  32          1HA       GLY  32 101.254   0.330  -7.204
  201   2HA   GLY  32          2HA       GLY  32 101.013   1.726  -6.171
  202    H    VAL  33           H        VAL  33 102.268  -1.510  -5.330
  203    HA   VAL  33           HA       VAL  33 104.899  -0.319  -4.864
  204    HB   VAL  33           HB       VAL  33 104.368  -2.188  -2.778
  205   1HG1  VAL  33          1HG1      VAL  33 105.656  -0.786  -1.604
  206   2HG1  VAL  33          2HG1      VAL  33 104.803   0.647  -2.175
  207   3HG1  VAL  33          3HG1      VAL  33 106.007  -0.131  -3.199
  208   1HG2  VAL  33          1HG2      VAL  33 102.249  -1.697  -2.254
  209   2HG2  VAL  33          2HG2      VAL  33 102.237  -0.250  -3.261
  210   3HG2  VAL  33          3HG2      VAL  33 102.917  -0.188  -1.639
  211    H    ASP  34           H        ASP  34 106.460  -1.450  -5.676
  212    HA   ASP  34           HA       ASP  34 106.176  -4.362  -5.908
  213   1HB   ASP  34          1HB       ASP  34 105.695  -3.259  -8.103
  214   2HB   ASP  34          2HB       ASP  34 107.325  -2.585  -8.071
  215    H    ARG  35           H        ARG  35 108.110  -5.525  -5.772
  216    HA   ARG  35           HA       ARG  35 110.015  -4.570  -4.007
  217   1HB   ARG  35          1HB       ARG  35 109.626  -6.967  -5.608
  218   2HB   ARG  35          2HB       ARG  35 111.327  -6.582  -5.394
  219   1HG   ARG  35          1HG       ARG  35 110.873  -7.958  -3.596
  220   2HG   ARG  35          2HG       ARG  35 110.732  -6.340  -2.899
  221   1HD   ARG  35          1HD       ARG  35 108.785  -7.145  -2.101
  222   2HD   ARG  35          2HD       ARG  35 108.190  -6.728  -3.706
  223    HE   ARG  35           HE       ARG  35 108.768  -9.403  -2.685
  224   1HH1  ARG  35          1HH1      ARG  35 107.758  -7.404  -5.370
  225   2HH1  ARG  35          2HH1      ARG  35 107.124  -8.734  -6.275
  226   1HH2  ARG  35          1HH2      ARG  35 107.931 -11.143  -3.881
  227   2HH2  ARG  35          2HH2      ARG  35 107.219 -10.853  -5.433
  228    H    MET  36           H        MET  36 109.830  -4.070  -7.413
  229    HA   MET  36           HA       MET  36 112.485  -3.778  -8.126
  230   1HB   MET  36          1HB       MET  36 111.602  -2.045  -9.779
  231   2HB   MET  36          2HB       MET  36 110.915  -3.660  -9.862
  232   1HG   MET  36          1HG       MET  36 108.881  -2.995  -9.096
  233   2HG   MET  36          2HG       MET  36 109.541  -1.637  -8.183
  234   1HE   MET  36          1HE       MET  36 111.164  -0.150  -9.580
  235   2HE   MET  36          2HE       MET  36 110.101   1.101 -10.222
  236   3HE   MET  36          3HE       MET  36 111.045   0.096 -11.322
  237    H    ARG  37           H        ARG  37 110.406  -1.525  -6.392
  238    HA   ARG  37           HA       ARG  37 112.759  -0.067  -5.520
  239   1HB   ARG  37          1HB       ARG  37 111.430   2.129  -6.024
  240   2HB   ARG  37          2HB       ARG  37 112.404   1.379  -7.276
  241   1HG   ARG  37          1HG       ARG  37 110.468   1.852  -8.411
  242   2HG   ARG  37          2HG       ARG  37 110.181   0.184  -7.914
  243   1HD   ARG  37          1HD       ARG  37 108.689   0.807  -6.244
  244   2HD   ARG  37          2HD       ARG  37 109.294   2.462  -6.188
  245    HE   ARG  37           HE       ARG  37 107.876   3.010  -7.908
  246   1HH1  ARG  37          1HH1      ARG  37 108.039  -0.464  -7.622
  247   2HH1  ARG  37          2HH1      ARG  37 106.740  -0.742  -8.732
  248   1HH2  ARG  37          1HH2      ARG  37 106.166   2.646  -9.367
  249   2HH2  ARG  37          2HH2      ARG  37 105.676   1.024  -9.722
  250    H    LEU  38           H        LEU  38 111.485  -1.629  -3.870
  251    HA   LEU  38           HA       LEU  38 109.244  -0.435  -2.577
  252   1HB   LEU  38          1HB       LEU  38 111.010  -2.773  -2.084
  253   2HB   LEU  38          2HB       LEU  38 110.081  -2.149  -0.725
  254    HG   LEU  38           HG       LEU  38 108.912  -3.041  -3.362
  255   1HD1  LEU  38          1HD1      LEU  38 108.669  -4.391  -0.689
  256   2HD1  LEU  38          2HD1      LEU  38 109.875  -4.847  -1.894
  257   3HD1  LEU  38          3HD1      LEU  38 108.158  -4.991  -2.266
  258   1HD2  LEU  38          1HD2      LEU  38 106.779  -2.855  -2.125
  259   2HD2  LEU  38          2HD2      LEU  38 107.581  -1.314  -2.399
  260   3HD2  LEU  38          3HD2      LEU  38 107.653  -2.075  -0.810
  261    H    GLU  39           H        GLU  39 112.700  -0.284  -2.163
  262    HA   GLU  39           HA       GLU  39 112.600   1.015   0.375
  263   1HB   GLU  39          1HB       GLU  39 115.048   1.526  -0.191
  264   2HB   GLU  39          2HB       GLU  39 114.589  -0.153   0.032
  265   1HG   GLU  39          1HG       GLU  39 116.084   0.132  -1.856
  266   2HG   GLU  39          2HG       GLU  39 114.515  -0.478  -2.366
  267    H    ARG  40           H        ARG  40 111.410   2.075  -2.378
  268    HA   ARG  40           HA       ARG  40 112.355   4.835  -1.991
  269   1HB   ARG  40          1HB       ARG  40 112.491   3.329  -4.299
  270   2HB   ARG  40          2HB       ARG  40 111.020   4.261  -4.532
  271   1HG   ARG  40          1HG       ARG  40 113.130   5.944  -3.539
  272   2HG   ARG  40          2HG       ARG  40 113.650   5.080  -4.986
  273   1HD   ARG  40          1HD       ARG  40 111.008   5.989  -5.445
  274   2HD   ARG  40          2HD       ARG  40 111.920   7.338  -4.768
  275    HE   ARG  40           HE       ARG  40 113.350   6.009  -6.848
  276   1HH1  ARG  40          1HH1      ARG  40 110.831   8.343  -6.226
  277   2HH1  ARG  40          2HH1      ARG  40 111.052   9.168  -7.733
  278   1HH2  ARG  40          1HH2      ARG  40 113.642   7.093  -8.830
  279   2HH2  ARG  40          2HH2      ARG  40 112.647   8.459  -9.212
  280    H    HIS  41           H        HIS  41 109.843   2.703  -1.602
  281    HA   HIS  41           HA       HIS  41 107.704   4.629  -2.011
  282   1HB   HIS  41          1HB       HIS  41 107.903   1.688  -1.572
  283   2HB   HIS  41          2HB       HIS  41 106.427   2.495  -1.070
  284    HD1  HIS  41           HD1      HIS  41 105.232   3.934  -3.075
  285    HD2  HIS  41           HD2      HIS  41 107.959   1.006  -4.187
  286    HE1  HIS  41           HE1      HIS  41 104.762   3.461  -5.500
  287    HE2  HIS  41           HE2      HIS  41 106.348   1.608  -6.116
  288    H    LEU  42           H        LEU  42 109.856   3.875   0.411
  289    HA   LEU  42           HA       LEU  42 108.054   4.075   2.645
  290   1HB   LEU  42          1HB       LEU  42 111.066   4.088   2.467
  291   2HB   LEU  42          2HB       LEU  42 110.149   4.039   3.966
  292    HG   LEU  42           HG       LEU  42 109.312   1.920   2.185
  293   1HD1  LEU  42          1HD1      LEU  42 111.949   2.445   1.796
  294   2HD1  LEU  42          2HD1      LEU  42 111.197   0.858   1.625
  295   3HD1  LEU  42          3HD1      LEU  42 112.011   1.290   3.133
  296   1HD2  LEU  42          1HD2      LEU  42 108.869   2.040   4.571
  297   2HD2  LEU  42          2HD2      LEU  42 110.599   1.935   4.899
  298   3HD2  LEU  42          3HD2      LEU  42 109.756   0.575   4.154
  299    H    SER  43           H        SER  43 107.830   5.788   4.022
  300    HA   SER  43           HA       SER  43 108.152   8.385   2.923
  301   1HB   SER  43          1HB       SER  43 106.295   8.091   4.366
  302   2HB   SER  43          2HB       SER  43 107.296   7.381   5.637
  303    HG   SER  43           HG       SER  43 107.086  10.075   4.835
  304    H    ALA  44           H        ALA  44 109.281  10.174   4.018
  305    HA   ALA  44           HA       ALA  44 111.998   9.824   4.163
  306   1HB   ALA  44          1HB       ALA  44 110.183  11.912   5.294
  307   2HB   ALA  44          2HB       ALA  44 111.350  12.034   3.977
  308   3HB   ALA  44          3HB       ALA  44 111.910  11.961   5.647
  309    H    GLU  45           H        GLU  45 109.631   9.281   6.648
  310    HA   GLU  45           HA       GLU  45 111.548   9.056   8.785
  311   1HB   GLU  45          1HB       GLU  45 109.387   7.782   9.783
  312   2HB   GLU  45          2HB       GLU  45 109.581   9.526   9.811
  313   1HG   GLU  45          1HG       GLU  45 108.069   9.855   8.089
  314   2HG   GLU  45          2HG       GLU  45 108.220   8.198   7.507
  315    H    ASP  46           H        ASP  46 109.416   6.747   7.134
  316    HA   ASP  46           HA       ASP  46 110.440   4.421   8.232
  317   1HB   ASP  46          1HB       ASP  46 109.208   4.911   5.517
  318   2HB   ASP  46          2HB       ASP  46 109.559   3.303   6.152
  319    H    PHE  47           H        PHE  47 111.511   6.189   5.345
  320    HA   PHE  47           HA       PHE  47 113.461   4.286   4.590
  321   1HB   PHE  47          1HB       PHE  47 112.378   6.174   3.197
  322   2HB   PHE  47          2HB       PHE  47 113.620   7.207   3.912
  323    HD1  PHE  47           HD1      PHE  47 113.579   3.738   2.598
  324    HD2  PHE  47           HD2      PHE  47 115.303   7.618   2.428
  325    HE1  PHE  47           HE1      PHE  47 115.203   2.940   0.912
  326    HE2  PHE  47           HE2      PHE  47 116.926   6.838   0.746
  327    HZ   PHE  47           HZ       PHE  47 116.874   4.499  -0.010
  328    H    SER  48           H        SER  48 113.880   7.551   5.961
  329    HA   SER  48           HA       SER  48 116.613   7.318   6.461
  330   1HB   SER  48          1HB       SER  48 116.417   9.317   7.737
  331   2HB   SER  48          2HB       SER  48 115.191   9.428   6.474
  332    HG   SER  48           HG       SER  48 114.833   8.792   9.208
  333    H    ARG  49           H        ARG  49 113.985   5.852   8.147
  334    HA   ARG  49           HA       ARG  49 115.552   5.551  10.587
  335   1HB   ARG  49          1HB       ARG  49 113.612   4.766  11.649
  336   2HB   ARG  49          2HB       ARG  49 113.052   6.044  10.583
  337   1HG   ARG  49          1HG       ARG  49 112.258   4.418   8.989
  338   2HG   ARG  49          2HG       ARG  49 112.911   3.102   9.964
  339   1HD   ARG  49          1HD       ARG  49 111.407   4.210  11.829
  340   2HD   ARG  49          2HD       ARG  49 110.523   4.817  10.426
  341    HE   ARG  49           HE       ARG  49 110.852   2.126   9.979
  342   1HH1  ARG  49          1HH1      ARG  49 109.386   4.096  12.460
  343   2HH1  ARG  49          2HH1      ARG  49 108.190   2.912  12.868
  344   1HH2  ARG  49          1HH2      ARG  49 109.278   0.568  10.515
  345   2HH2  ARG  49          2HH2      ARG  49 108.128   0.910  11.764
  346    H    VAL  50           H        VAL  50 114.668   3.744   7.760
  347    HA   VAL  50           HA       VAL  50 115.673   1.253   8.936
  348    HB   VAL  50           HB       VAL  50 114.532   1.636   6.165
  349   1HG1  VAL  50          1HG1      VAL  50 114.654  -0.604   5.892
  350   2HG1  VAL  50          2HG1      VAL  50 114.391  -0.941   7.602
  351   3HG1  VAL  50          3HG1      VAL  50 115.981  -0.430   7.041
  352   1HG2  VAL  50          1HG2      VAL  50 112.417   1.270   6.886
  353   2HG2  VAL  50          2HG2      VAL  50 113.042   2.096   8.315
  354   3HG2  VAL  50          3HG2      VAL  50 112.933   0.336   8.289
  355    H    PHE  51           H        PHE  51 116.464   3.710   6.590
  356    HA   PHE  51           HA       PHE  51 118.889   2.217   5.847
  357   1HB   PHE  51          1HB       PHE  51 117.359   4.352   4.363
  358   2HB   PHE  51          2HB       PHE  51 118.925   3.729   3.849
  359    HD1  PHE  51           HD1      PHE  51 119.155   1.464   3.044
  360    HD2  PHE  51           HD2      PHE  51 115.359   3.061   4.086
  361    HE1  PHE  51           HE1      PHE  51 118.055  -0.359   1.806
  362    HE2  PHE  51           HE2      PHE  51 114.248   1.243   2.851
  363    HZ   PHE  51           HZ       PHE  51 115.605  -0.466   1.706
  364    H    ALA  52           H        ALA  52 117.691   5.232   7.139
  365    HA   ALA  52           HA       ALA  52 118.769   6.907   8.271
  366   1HB   ALA  52          1HB       ALA  52 120.767   4.803   8.232
  367   2HB   ALA  52          2HB       ALA  52 120.358   5.950   9.506
  368   3HB   ALA  52          3HB       ALA  52 121.481   6.413   8.228
  369    H    MET  53           H        MET  53 118.962   6.246   5.131
  370    HA   MET  53           HA       MET  53 120.692   8.531   4.459
  371   1HB   MET  53          1HB       MET  53 121.030   7.541   2.337
  372   2HB   MET  53          2HB       MET  53 121.256   6.283   3.547
  373   1HG   MET  53          1HG       MET  53 118.707   5.828   3.064
  374   2HG   MET  53          2HG       MET  53 119.094   6.619   1.534
  375   1HE   MET  53          1HE       MET  53 122.133   5.015   2.981
  376   2HE   MET  53          2HE       MET  53 122.210   5.676   1.341
  377   3HE   MET  53          3HE       MET  53 122.486   3.949   1.616
  378    H    SER  54           H        SER  54 119.995   9.334   2.182
  379    HA   SER  54           HA       SER  54 117.285  10.359   2.496
  380   1HB   SER  54          1HB       SER  54 119.703  11.169   0.890
  381   2HB   SER  54          2HB       SER  54 118.105  11.840   0.532
  382    HG   SER  54           HG       SER  54 118.343  13.116   2.177
  383    HA   PRO  55           HA       PRO  55 115.534   7.692  -0.609
  384   1HB   PRO  55          1HB       PRO  55 114.224  10.195  -1.570
  385   2HB   PRO  55          2HB       PRO  55 113.502   8.629  -1.184
  386   1HG   PRO  55          1HG       PRO  55 113.255  10.707   0.478
  387   2HG   PRO  55          2HG       PRO  55 113.465   9.054   1.091
  388   1HD   PRO  55          1HD       PRO  55 115.418  11.301   0.987
  389   2HD   PRO  55          2HD       PRO  55 115.265   9.987   2.174
  390    H    GLU  56           H        GLU  56 117.098  10.725  -1.267
  391    HA   GLU  56           HA       GLU  56 117.471  10.180  -4.083
  392   1HB   GLU  56          1HB       GLU  56 117.190  12.462  -3.694
  393   2HB   GLU  56          2HB       GLU  56 118.162  12.433  -2.226
  394   1HG   GLU  56          1HG       GLU  56 120.095  12.741  -3.335
  395   2HG   GLU  56          2HG       GLU  56 119.580  11.784  -4.727
  396    H    GLU  57           H        GLU  57 119.158   9.684  -1.080
  397    HA   GLU  57           HA       GLU  57 121.779   9.510  -2.088
  398   1HB   GLU  57          1HB       GLU  57 120.397   8.814   0.435
  399   2HB   GLU  57          2HB       GLU  57 121.770   7.789   0.051
  400   1HG   GLU  57          1HG       GLU  57 122.713  10.330  -0.444
  401   2HG   GLU  57          2HG       GLU  57 121.698  10.525   0.984
  402    H    PHE  58           H        PHE  58 119.249   7.069  -1.534
  403    HA   PHE  58           HA       PHE  58 120.569   4.750  -2.242
  404   1HB   PHE  58          1HB       PHE  58 117.949   5.447  -1.758
  405   2HB   PHE  58          2HB       PHE  58 117.895   4.959  -3.452
  406    HD1  PHE  58           HD1      PHE  58 118.763   3.867  -0.063
  407    HD2  PHE  58           HD2      PHE  58 118.053   2.688  -4.072
  408    HE1  PHE  58           HE1      PHE  58 118.738   1.526   0.657
  409    HE2  PHE  58           HE2      PHE  58 118.006   0.324  -3.370
  410    HZ   PHE  58           HZ       PHE  58 118.348  -0.264  -0.997
  411    H    GLY  59           H        GLY  59 118.577   6.612  -4.551
  412   1HA   GLY  59          1HA       GLY  59 119.318   5.331  -6.865
  413   2HA   GLY  59          2HA       GLY  59 118.879   7.030  -6.796
  414    H    LYS  60           H        LYS  60 121.207   7.578  -4.996
  415    HA   LYS  60           HA       LYS  60 123.171   7.899  -7.122
  416   1HB   LYS  60          1HB       LYS  60 122.953   9.049  -4.340
  417   2HB   LYS  60          2HB       LYS  60 124.343   9.325  -5.387
  418   1HG   LYS  60          1HG       LYS  60 121.571   9.962  -6.320
  419   2HG   LYS  60          2HG       LYS  60 122.478  11.092  -5.307
  420   1HD   LYS  60          1HD       LYS  60 123.548   9.941  -7.878
  421   2HD   LYS  60          2HD       LYS  60 122.667  11.467  -7.791
  422   1HE   LYS  60          1HE       LYS  60 124.493  11.871  -5.856
  423   2HE   LYS  60          2HE       LYS  60 125.408  10.797  -6.916
  424   1HZ   LYS  60          1HZ       LYS  60 124.134  13.367  -7.687
  425   2HZ   LYS  60          2HZ       LYS  60 124.913  12.319  -8.761
  426   3HZ   LYS  60          3HZ       LYS  60 125.793  13.074  -7.530
  427    H    LEU  61           H        LEU  61 122.545   5.644  -4.749
  428    HA   LEU  61           HA       LEU  61 125.200   5.083  -3.906
  429   1HB   LEU  61          1HB       LEU  61 122.636   3.484  -3.723
  430   2HB   LEU  61          2HB       LEU  61 124.121   3.086  -2.888
  431    HG   LEU  61           HG       LEU  61 122.326   5.432  -2.393
  432   1HD1  LEU  61          1HD1      LEU  61 123.288   3.652  -0.254
  433   2HD1  LEU  61          2HD1      LEU  61 122.150   2.959  -1.408
  434   3HD1  LEU  61          3HD1      LEU  61 121.707   4.399  -0.492
  435   1HD2  LEU  61          1HD2      LEU  61 125.192   5.069  -1.792
  436   2HD2  LEU  61          2HD2      LEU  61 124.181   5.674  -0.480
  437   3HD2  LEU  61          3HD2      LEU  61 124.256   6.548  -2.009
  438    H    ALA  62           H        ALA  62 124.778   2.166  -4.227
  439    HA   ALA  62           HA       ALA  62 125.324   1.889  -7.102
  440   1HB   ALA  62          1HB       ALA  62 126.784   0.342  -4.982
  441   2HB   ALA  62          2HB       ALA  62 127.390   1.852  -5.663
  442   3HB   ALA  62          3HB       ALA  62 127.154   0.445  -6.702
  443    H    LEU  63           H        LEU  63 125.410  -0.589  -7.654
  444    HA   LEU  63           HA       LEU  63 122.800  -1.617  -7.112
  445   1HB   LEU  63          1HB       LEU  63 124.177  -1.861  -9.245
  446   2HB   LEU  63          2HB       LEU  63 125.058  -3.123  -8.402
  447    HG   LEU  63           HG       LEU  63 122.208  -3.570  -8.208
  448   1HD1  LEU  63          1HD1      LEU  63 121.730  -4.035 -10.524
  449   2HD1  LEU  63          2HD1      LEU  63 123.338  -3.490 -11.000
  450   3HD1  LEU  63          3HD1      LEU  63 122.175  -2.338 -10.342
  451   1HD2  LEU  63          1HD2      LEU  63 123.984  -5.353  -9.761
  452   2HD2  LEU  63          2HD2      LEU  63 122.831  -5.729  -8.481
  453   3HD2  LEU  63          3HD2      LEU  63 124.415  -5.068  -8.074
  454    H    TRP  64           H        TRP  64 125.964  -2.161  -5.786
  455    HA   TRP  64           HA       TRP  64 125.212  -4.604  -4.451
  456   1HB   TRP  64          1HB       TRP  64 127.521  -4.306  -3.455
  457   2HB   TRP  64          2HB       TRP  64 127.478  -4.449  -5.218
  458    HD1  TRP  64           HD1      TRP  64 128.378  -2.411  -6.587
  459    HE1  TRP  64           HE1      TRP  64 129.397  -0.144  -5.943
  460    HE3  TRP  64           HE3      TRP  64 127.215  -2.469  -1.734
  461    HZ2  TRP  64           HZ2      TRP  64 129.668   1.419  -3.554
  462    HZ3  TRP  64           HZ3      TRP  64 127.884  -0.551  -0.298
  463    HH2  TRP  64           HH2      TRP  64 129.068   1.346  -1.204
  464    H    LYS  65           H        LYS  65 125.562  -1.208  -3.913
  465    HA   LYS  65           HA       LYS  65 125.310  -1.262  -1.069
  466   1HB   LYS  65          1HB       LYS  65 126.100   0.657  -2.734
  467   2HB   LYS  65          2HB       LYS  65 124.399   1.107  -2.640
  468   1HG   LYS  65          1HG       LYS  65 124.521   1.553  -0.352
  469   2HG   LYS  65          2HG       LYS  65 126.037   0.664  -0.167
  470   1HD   LYS  65          1HD       LYS  65 127.258   2.358  -1.315
  471   2HD   LYS  65          2HD       LYS  65 125.773   3.172  -1.817
  472   1HE   LYS  65          1HE       LYS  65 125.599   4.279   0.119
  473   2HE   LYS  65          2HE       LYS  65 125.975   2.837   1.072
  474   1HZ   LYS  65          1HZ       LYS  65 127.825   4.014   1.528
  475   2HZ   LYS  65          2HZ       LYS  65 127.738   4.945   0.118
  476   3HZ   LYS  65          3HZ       LYS  65 128.364   3.375   0.057
  477    H    ARG  66           H        ARG  66 123.019  -0.200  -3.600
  478    HA   ARG  66           HA       ARG  66 120.734   0.066  -2.108
  479   1HB   ARG  66          1HB       ARG  66 121.002  -1.102  -4.884
  480   2HB   ARG  66          2HB       ARG  66 119.484  -0.579  -4.171
  481   1HG   ARG  66          1HG       ARG  66 120.345   1.695  -4.004
  482   2HG   ARG  66          2HG       ARG  66 121.866   1.163  -4.721
  483   1HD   ARG  66          1HD       ARG  66 119.360   0.563  -6.195
  484   2HD   ARG  66          2HD       ARG  66 119.914   2.243  -6.171
  485    HE   ARG  66           HE       ARG  66 122.135   0.889  -6.882
  486   1HH1  ARG  66          1HH1      ARG  66 118.862   0.856  -8.093
  487   2HH1  ARG  66          2HH1      ARG  66 119.331   0.453  -9.710
  488   1HH2  ARG  66          1HH2      ARG  66 122.754   0.359  -9.009
  489   2HH2  ARG  66          2HH2      ARG  66 121.540   0.171 -10.230
  490    H    ASN  67           H        ASN  67 122.075  -2.855  -3.531
  491    HA   ASN  67           HA       ASN  67 120.050  -4.647  -2.774
  492   1HB   ASN  67          1HB       ASN  67 122.867  -4.853  -3.632
  493   2HB   ASN  67          2HB       ASN  67 122.282  -6.213  -2.672
  494   1HD2  ASN  67          1HD2      ASN  67 121.437  -4.204  -5.462
  495   2HD2  ASN  67          2HD2      ASN  67 120.684  -5.471  -6.365
  496    H    GLU  68           H        GLU  68 123.235  -4.390  -1.204
  497    HA   GLU  68           HA       GLU  68 122.789  -5.800   1.063
  498   1HB   GLU  68          1HB       GLU  68 124.440  -3.323   0.624
  499   2HB   GLU  68          2HB       GLU  68 124.436  -4.175   2.163
  500   1HG   GLU  68          1HG       GLU  68 125.305  -6.156   1.141
  501   2HG   GLU  68          2HG       GLU  68 125.140  -5.452  -0.467
  502    H    LEU  69           H        LEU  69 121.972  -2.372   0.551
  503    HA   LEU  69           HA       LEU  69 121.029  -1.890   3.161
  504   1HB   LEU  69          1HB       LEU  69 119.971  -0.600   0.657
  505   2HB   LEU  69          2HB       LEU  69 119.959   0.045   2.286
  506    HG   LEU  69           HG       LEU  69 122.560  -0.583   1.056
  507   1HD1  LEU  69          1HD1      LEU  69 122.583   1.112  -0.419
  508   2HD1  LEU  69          2HD1      LEU  69 121.546   2.129   0.584
  509   3HD1  LEU  69          3HD1      LEU  69 120.839   0.857  -0.412
  510   1HD2  LEU  69          1HD2      LEU  69 123.402   0.796   2.641
  511   2HD2  LEU  69          2HD2      LEU  69 121.895   0.382   3.459
  512   3HD2  LEU  69          3HD2      LEU  69 122.025   1.895   2.563
  513    H    LYS  70           H        LYS  70 119.161  -2.400   0.195
  514    HA   LYS  70           HA       LYS  70 116.647  -2.833   1.326
  515   1HB   LYS  70          1HB       LYS  70 118.011  -3.648  -1.186
  516   2HB   LYS  70          2HB       LYS  70 116.558  -4.538  -0.755
  517   1HG   LYS  70          1HG       LYS  70 115.244  -2.545  -0.773
  518   2HG   LYS  70          2HG       LYS  70 116.687  -1.540  -0.956
  519   1HD   LYS  70          1HD       LYS  70 115.942  -1.624  -3.129
  520   2HD   LYS  70          2HD       LYS  70 117.048  -2.999  -3.106
  521   1HE   LYS  70          1HE       LYS  70 115.043  -3.708  -4.183
  522   2HE   LYS  70          2HE       LYS  70 115.087  -4.462  -2.590
  523   1HZ   LYS  70          1HZ       LYS  70 113.566  -1.996  -3.241
  524   2HZ   LYS  70          2HZ       LYS  70 113.534  -2.845  -1.777
  525   3HZ   LYS  70          3HZ       LYS  70 112.894  -3.548  -3.176
  526    H    LYS  71           H        LYS  71 119.464  -4.819   1.211
  527    HA   LYS  71           HA       LYS  71 118.156  -7.259   1.972
  528   1HB   LYS  71          1HB       LYS  71 120.995  -6.391   1.472
  529   2HB   LYS  71          2HB       LYS  71 120.648  -7.963   2.206
  530   1HG   LYS  71          1HG       LYS  71 119.401  -8.648   0.286
  531   2HG   LYS  71          2HG       LYS  71 119.491  -7.026  -0.407
  532   1HD   LYS  71          1HD       LYS  71 121.586  -7.343  -1.185
  533   2HD   LYS  71          2HD       LYS  71 122.087  -8.247   0.245
  534   1HE   LYS  71          1HE       LYS  71 120.333  -9.981  -0.899
  535   2HE   LYS  71          2HE       LYS  71 121.023  -9.200  -2.322
  536   1HZ   LYS  71          1HZ       LYS  71 123.224  -9.692  -0.915
  537   2HZ   LYS  71          2HZ       LYS  71 122.588 -10.773  -2.049
  538   3HZ   LYS  71          3HZ       LYS  71 122.266 -10.990  -0.403
  539    H    LYS  72           H        LYS  72 119.868  -4.662   3.593
  540    HA   LYS  72           HA       LYS  72 119.846  -6.140   6.102
  541   1HB   LYS  72          1HB       LYS  72 121.347  -4.526   6.966
  542   2HB   LYS  72          2HB       LYS  72 121.889  -4.857   5.327
  543   1HG   LYS  72          1HG       LYS  72 122.021  -2.596   5.299
  544   2HG   LYS  72          2HG       LYS  72 120.338  -2.778   4.790
  545   1HD   LYS  72          1HD       LYS  72 120.186  -2.792   7.549
  546   2HD   LYS  72          2HD       LYS  72 121.439  -1.597   7.211
  547   1HE   LYS  72          1HE       LYS  72 118.872  -1.546   5.681
  548   2HE   LYS  72          2HE       LYS  72 118.937  -0.875   7.310
  549   1HZ   LYS  72          1HZ       LYS  72 121.071  -0.029   5.547
  550   2HZ   LYS  72          2HZ       LYS  72 120.135   0.876   6.627
  551   3HZ   LYS  72          3HZ       LYS  72 119.528   0.498   5.094
  552    H    ALA  73           H        ALA  73 118.203  -3.645   4.427
  553    HA   ALA  73           HA       ALA  73 116.970  -2.442   6.724
  554   1HB   ALA  73          1HB       ALA  73 117.220  -1.882   3.927
  555   2HB   ALA  73          2HB       ALA  73 116.742  -0.807   5.238
  556   3HB   ALA  73          3HB       ALA  73 115.527  -1.777   4.406
  557    H    GLU  74           H        GLU  74 116.560  -5.377   5.345
  558    HA   GLU  74           HA       GLU  74 115.002  -6.997   5.607
  559   1HB   GLU  74          1HB       GLU  74 114.110  -4.959   7.476
  560   2HB   GLU  74          2HB       GLU  74 112.761  -5.865   6.807
  561   1HG   GLU  74          1HG       GLU  74 113.726  -7.938   7.550
  562   2HG   GLU  74          2HG       GLU  74 115.184  -7.106   8.087
  563    H    LEU  75           H        LEU  75 115.086  -5.122   3.352
  564    HA   LEU  75           HA       LEU  75 112.611  -5.965   2.172
  565   1HB   LEU  75          1HB       LEU  75 112.660  -3.389   1.210
  566   2HB   LEU  75          2HB       LEU  75 111.506  -4.065   2.348
  567    HG   LEU  75           HG       LEU  75 113.508  -3.282   4.003
  568   1HD1  LEU  75          1HD1      LEU  75 114.884  -2.154   2.486
  569   2HD1  LEU  75          2HD1      LEU  75 113.912  -0.876   3.221
  570   3HD1  LEU  75          3HD1      LEU  75 113.509  -1.477   1.608
  571   1HD2  LEU  75          1HD2      LEU  75 112.010  -1.185   4.224
  572   2HD2  LEU  75          2HD2      LEU  75 111.321  -2.776   4.551
  573   3HD2  LEU  75          3HD2      LEU  75 111.013  -1.982   3.008
  574    H    PHE  76           H        PHE  76 114.373  -7.259   1.243
  575    HA   PHE  76           HA       PHE  76 115.334  -5.936  -1.212
  576   1HB   PHE  76          1HB       PHE  76 117.396  -6.281  -0.295
  577   2HB   PHE  76          2HB       PHE  76 116.838  -7.598   0.738
  578    HD1  PHE  76           HD1      PHE  76 116.929  -9.874  -0.013
  579    HD2  PHE  76           HD2      PHE  76 118.058  -6.691  -2.602
  580    HE1  PHE  76           HE1      PHE  76 117.950 -11.496  -1.556
  581    HE2  PHE  76           HE2      PHE  76 119.080  -8.308  -4.150
  582    HZ   PHE  76           HZ       PHE  76 119.026 -10.714  -3.628
  Start of MODEL   21
    1    HT1  PRO   9           HT1      PRO   9 105.108  11.740 -12.173
    2    HT2  PRO   9           HT2      PRO   9 105.864  10.417 -11.554
    3    HA   PRO   9           HA       PRO   9 103.926  11.785 -10.505
    4   1HB   PRO   9          1HB       PRO   9 102.496   9.275 -10.773
    5   2HB   PRO   9          2HB       PRO   9 101.923  10.923 -11.061
    6   1HG   PRO   9          1HG       PRO   9 102.340   9.123 -13.059
    7   2HG   PRO   9          2HG       PRO   9 102.492  10.875 -13.277
    8   1HD   PRO   9          1HD       PRO   9 104.645   8.825 -12.853
    9   2HD   PRO   9          2HD       PRO   9 104.602  10.187 -13.989
   10    H    GLY  10           H        GLY  10 104.206  11.443  -8.377
   11   1HA   GLY  10          1HA       GLY  10 106.035   9.466  -7.468
   12   2HA   GLY  10          2HA       GLY  10 105.093  10.544  -6.452
   13    H    LEU  11           H        LEU  11 105.400   8.252  -5.368
   14    HA   LEU  11           HA       LEU  11 102.959   6.721  -5.952
   15   1HB   LEU  11          1HB       LEU  11 104.384   4.939  -4.562
   16   2HB   LEU  11          2HB       LEU  11 104.430   5.054  -6.310
   17    HG   LEU  11           HG       LEU  11 106.658   4.780  -5.252
   18   1HD1  LEU  11          1HD1      LEU  11 105.965   6.294  -7.388
   19   2HD1  LEU  11          2HD1      LEU  11 107.623   5.924  -6.912
   20   3HD1  LEU  11          3HD1      LEU  11 106.887   7.452  -6.428
   21   1HD2  LEU  11          1HD2      LEU  11 105.740   6.696  -3.463
   22   2HD2  LEU  11          2HD2      LEU  11 106.963   7.531  -4.421
   23   3HD2  LEU  11          3HD2      LEU  11 107.374   6.042  -3.571
   24    H    GLN  12           H        GLN  12 102.071   5.562  -4.049
   25    HA   GLN  12           HA       GLN  12 101.730   7.419  -1.889
   26   1HB   GLN  12          1HB       GLN  12 100.447   5.147  -1.044
   27   2HB   GLN  12          2HB       GLN  12  99.717   6.430  -1.999
   28   1HG   GLN  12          1HG       GLN  12 101.105   4.169  -3.363
   29   2HG   GLN  12          2HG       GLN  12  99.482   3.946  -2.716
   30   1HE2  GLN  12          1HE2      GLN  12 100.519   3.989  -5.490
   31   2HE2  GLN  12          2HE2      GLN  12  99.568   5.174  -6.311
   32    H    ILE  13           H        ILE  13 102.695   7.473   0.008
   33    HA   ILE  13           HA       ILE  13 104.731   5.478   0.614
   34    HB   ILE  13           HB       ILE  13 104.148   8.007   2.143
   35   1HG1  ILE  13          1HG1      ILE  13 104.608   8.295  -0.382
   36   2HG1  ILE  13          2HG1      ILE  13 105.583   9.228   0.750
   37   1HG2  ILE  13          1HG2      ILE  13 105.551   6.401   3.304
   38   2HG2  ILE  13          2HG2      ILE  13 106.495   7.810   2.818
   39   3HG2  ILE  13          3HG2      ILE  13 106.625   6.306   1.907
   40   1HD1  ILE  13          1HD1      ILE  13 106.413   6.696  -0.646
   41   2HD1  ILE  13          2HD1      ILE  13 107.388   7.586   0.524
   42   3HD1  ILE  13          3HD1      ILE  13 106.959   8.332  -1.017
   43    H    TYR  14           H        TYR  14 104.633   4.060   2.283
   44    HA   TYR  14           HA       TYR  14 102.489   4.353   4.272
   45   1HB   TYR  14          1HB       TYR  14 103.070   1.574   3.485
   46   2HB   TYR  14          2HB       TYR  14 101.528   2.352   3.816
   47    HD1  TYR  14           HD1      TYR  14 104.027   1.619   1.246
   48    HD2  TYR  14           HD2      TYR  14 100.194   3.283   2.030
   49    HE1  TYR  14           HE1      TYR  14 103.532   1.581  -1.157
   50    HE2  TYR  14           HE2      TYR  14  99.686   3.252  -0.377
   51    HH   TYR  14           HH       TYR  14 100.367   2.211  -2.387
   52    HA   PRO  15           HA       PRO  15 105.283   3.161   7.503
   53   1HB   PRO  15          1HB       PRO  15 104.353   0.590   8.211
   54   2HB   PRO  15          2HB       PRO  15 103.880   2.125   8.950
   55   1HG   PRO  15          1HG       PRO  15 102.495   0.516   6.867
   56   2HG   PRO  15          2HG       PRO  15 101.810   1.531   8.149
   57   1HD   PRO  15          1HD       PRO  15 101.827   2.339   5.603
   58   2HD   PRO  15          2HD       PRO  15 102.108   3.488   6.929
   59    H    TYR  16           H        TYR  16 106.895   1.405   8.153
   60    HA   TYR  16           HA       TYR  16 108.130   0.428   5.735
   61   1HB   TYR  16          1HB       TYR  16 109.716   1.369   7.135
   62   2HB   TYR  16          2HB       TYR  16 108.968   0.717   8.593
   63    HD1  TYR  16           HD1      TYR  16 111.241   0.022   5.809
   64    HD2  TYR  16           HD2      TYR  16 109.428  -1.531   9.322
   65    HE1  TYR  16           HE1      TYR  16 112.856  -1.831   5.796
   66    HE2  TYR  16           HE2      TYR  16 111.039  -3.396   9.336
   67    HH   TYR  16           HH       TYR  16 112.528  -4.549   7.951
   68    H    GLU  17           H        GLU  17 107.452  -1.129   8.889
   69    HA   GLU  17           HA       GLU  17 107.918  -3.735   8.298
   70   1HB   GLU  17          1HB       GLU  17 105.998  -2.368  10.099
   71   2HB   GLU  17          2HB       GLU  17 105.694  -4.072   9.789
   72   1HG   GLU  17          1HG       GLU  17 108.120  -4.467  10.425
   73   2HG   GLU  17          2HG       GLU  17 108.113  -2.809  11.034
   74    H    MET  18           H        MET  18 105.070  -1.892   7.319
   75    HA   MET  18           HA       MET  18 103.721  -4.177   6.215
   76   1HB   MET  18          1HB       MET  18 103.267  -1.206   6.102
   77   2HB   MET  18          2HB       MET  18 102.332  -2.299   5.091
   78   1HG   MET  18          1HG       MET  18 102.324  -3.273   7.773
   79   2HG   MET  18          2HG       MET  18 101.869  -1.566   7.769
   80   1HE   MET  18          1HE       MET  18 100.850  -4.764   7.999
   81   2HE   MET  18          2HE       MET  18 100.478  -5.266   6.351
   82   3HE   MET  18          3HE       MET  18  99.173  -4.848   7.461
   83    H    LEU  19           H        LEU  19 105.753  -1.579   5.017
   84    HA   LEU  19           HA       LEU  19 105.488  -2.268   2.263
   85   1HB   LEU  19          1HB       LEU  19 106.952  -0.318   3.904
   86   2HB   LEU  19          2HB       LEU  19 107.726  -0.748   2.385
   87    HG   LEU  19           HG       LEU  19 104.963   0.410   2.736
   88   1HD1  LEU  19          1HD1      LEU  19 107.055   1.863   2.995
   89   2HD1  LEU  19          2HD1      LEU  19 105.810   2.395   1.864
   90   3HD1  LEU  19          3HD1      LEU  19 107.275   1.616   1.262
   91   1HD2  LEU  19          1HD2      LEU  19 106.370  -0.792   0.402
   92   2HD2  LEU  19          2HD2      LEU  19 105.260   0.556   0.151
   93   3HD2  LEU  19          3HD2      LEU  19 104.685  -0.934   0.900
   94    H    VAL  20           H        VAL  20 107.194  -3.711   4.780
   95    HA   VAL  20           HA       VAL  20 109.668  -4.343   3.700
   96    HB   VAL  20           HB       VAL  20 107.967  -6.198   5.371
   97   1HG1  VAL  20          1HG1      VAL  20 110.810  -6.148   4.565
   98   2HG1  VAL  20          2HG1      VAL  20 109.757  -7.518   4.927
   99   3HG1  VAL  20          3HG1      VAL  20 110.456  -6.567   6.242
  100   1HG2  VAL  20          1HG2      VAL  20 108.111  -3.964   6.353
  101   2HG2  VAL  20          2HG2      VAL  20 109.865  -4.034   6.255
  102   3HG2  VAL  20          3HG2      VAL  20 108.994  -5.151   7.305
  103    H    VAL  21           H        VAL  21 110.419  -6.346   2.654
  104    HA   VAL  21           HA       VAL  21 108.686  -6.995   0.444
  105    HB   VAL  21           HB       VAL  21 111.426  -8.092   1.058
  106   1HG1  VAL  21          1HG1      VAL  21 110.680  -9.462  -0.606
  107   2HG1  VAL  21          2HG1      VAL  21 111.330  -8.139  -1.578
  108   3HG1  VAL  21          3HG1      VAL  21 109.595  -8.242  -1.277
  109   1HG2  VAL  21          1HG2      VAL  21 112.406  -6.311  -0.019
  110   2HG2  VAL  21          2HG2      VAL  21 111.102  -5.518   0.859
  111   3HG2  VAL  21          3HG2      VAL  21 110.931  -5.865  -0.860
  112    H    THR  22           H        THR  22 110.633  -9.173   2.503
  113    HA   THR  22           HA       THR  22 108.560 -11.216   2.118
  114    HB   THR  22           HB       THR  22 111.491 -11.432   2.793
  115    HG1  THR  22           HG1      THR  22 110.929 -11.115   0.592
  116   1HG2  THR  22          1HG2      THR  22 110.807 -13.965   2.258
  117   2HG2  THR  22          2HG2      THR  22 109.352 -13.431   3.100
  118   3HG2  THR  22          3HG2      THR  22 110.924 -13.312   3.891
  119    H    ASN  23           H        ASN  23 110.848 -10.166   4.598
  120    HA   ASN  23           HA       ASN  23 110.181 -11.477   6.794
  121   1HB   ASN  23          1HB       ASN  23 110.505  -8.473   6.718
  122   2HB   ASN  23          2HB       ASN  23 110.740  -9.505   8.129
  123   1HD2  ASN  23          1HD2      ASN  23 112.009  -8.591   4.997
  124   2HD2  ASN  23          2HD2      ASN  23 113.591  -9.238   5.242
  125    H    LYS  24           H        LYS  24 108.246  -8.659   5.708
  126    HA   LYS  24           HA       LYS  24 106.146  -9.588   7.557
  127   1HB   LYS  24          1HB       LYS  24 107.192  -6.898   6.953
  128   2HB   LYS  24          2HB       LYS  24 105.443  -7.017   7.114
  129   1HG   LYS  24          1HG       LYS  24 105.746  -6.828   9.303
  130   2HG   LYS  24          2HG       LYS  24 106.411  -8.463   9.265
  131   1HD   LYS  24          1HD       LYS  24 108.079  -6.009   8.769
  132   2HD   LYS  24          2HD       LYS  24 107.846  -6.698  10.376
  133   1HE   LYS  24          1HE       LYS  24 109.034  -8.098   7.985
  134   2HE   LYS  24          2HE       LYS  24 109.924  -7.488   9.379
  135   1HZ   LYS  24          1HZ       LYS  24 108.505  -9.022  10.751
  136   2HZ   LYS  24          2HZ       LYS  24 109.624  -9.780   9.733
  137   3HZ   LYS  24          3HZ       LYS  24 107.989  -9.730   9.303
  138    H    GLY  25           H        GLY  25 106.515 -10.384   4.689
  139   1HA   GLY  25          1HA       GLY  25 104.065 -10.810   3.797
  140   2HA   GLY  25          2HA       GLY  25 104.201  -9.099   3.434
  141    H    ARG  26           H        ARG  26 104.022  -9.359   1.224
  142    HA   ARG  26           HA       ARG  26 106.441 -10.361  -0.076
  143   1HB   ARG  26          1HB       ARG  26 104.795 -11.281  -1.904
  144   2HB   ARG  26          2HB       ARG  26 105.190 -12.249  -0.491
  145   1HG   ARG  26          1HG       ARG  26 102.796 -10.468  -0.445
  146   2HG   ARG  26          2HG       ARG  26 102.724 -12.028  -1.265
  147   1HD   ARG  26          1HD       ARG  26 103.945 -12.222   1.361
  148   2HD   ARG  26          2HD       ARG  26 102.316 -11.554   1.433
  149    HE   ARG  26           HE       ARG  26 102.373 -13.845  -0.225
  150   1HH1  ARG  26          1HH1      ARG  26 102.481 -12.892   3.130
  151   2HH1  ARG  26          2HH1      ARG  26 101.796 -14.376   3.703
  152   1HH2  ARG  26          1HH2      ARG  26 101.471 -15.797   0.526
  153   2HH2  ARG  26          2HH2      ARG  26 101.223 -16.025   2.224
  154    H    THR  27           H        THR  27 103.671  -9.655  -2.050
  155    HA   THR  27           HA       THR  27 104.748  -6.983  -2.598
  156    HB   THR  27           HB       THR  27 104.071  -9.235  -4.409
  157    HG1  THR  27           HG1      THR  27 105.816  -8.274  -5.564
  158   1HG2  THR  27          1HG2      THR  27 102.453  -7.704  -5.220
  159   2HG2  THR  27          2HG2      THR  27 103.824  -7.696  -6.332
  160   3HG2  THR  27          3HG2      THR  27 103.609  -6.372  -5.183
  161    H    LYS  28           H        LYS  28 102.378  -8.355  -1.084
  162    HA   LYS  28           HA       LYS  28 100.126  -6.954  -2.262
  163   1HB   LYS  28          1HB       LYS  28 100.430  -8.906  -0.012
  164   2HB   LYS  28          2HB       LYS  28  98.892  -8.136  -0.390
  165   1HG   LYS  28          1HG       LYS  28  99.187 -10.443  -1.325
  166   2HG   LYS  28          2HG       LYS  28  98.781  -9.202  -2.510
  167   1HD   LYS  28          1HD       LYS  28 101.066  -9.085  -3.256
  168   2HD   LYS  28          2HD       LYS  28 101.591 -10.155  -1.955
  169   1HE   LYS  28          1HE       LYS  28 101.451 -11.699  -3.613
  170   2HE   LYS  28          2HE       LYS  28  99.771 -11.746  -3.079
  171   1HZ   LYS  28          1HZ       LYS  28  99.674  -9.778  -4.869
  172   2HZ   LYS  28          2HZ       LYS  28  99.379 -11.399  -5.250
  173   3HZ   LYS  28          3HZ       LYS  28 100.902 -10.724  -5.547
  174    H    LEU  29           H        LEU  29 102.263  -5.455  -1.086
  175    HA   LEU  29           HA       LEU  29 101.542  -4.557   1.516
  176   1HB   LEU  29          1HB       LEU  29 103.004  -2.593  -0.088
  177   2HB   LEU  29          2HB       LEU  29 103.388  -3.263   1.472
  178    HG   LEU  29           HG       LEU  29 104.301  -4.090  -1.244
  179   1HD1  LEU  29          1HD1      LEU  29 105.579  -4.050   1.497
  180   2HD1  LEU  29          2HD1      LEU  29 105.745  -2.805   0.264
  181   3HD1  LEU  29          3HD1      LEU  29 106.397  -4.419  -0.017
  182   1HD2  LEU  29          1HD2      LEU  29 105.051  -6.192   0.435
  183   2HD2  LEU  29          2HD2      LEU  29 103.904  -6.270  -0.895
  184   3HD2  LEU  29          3HD2      LEU  29 103.331  -5.981   0.746
  185    HA   PRO  30           HA       PRO  30  98.422  -1.426   1.257
  186   1HB   PRO  30          1HB       PRO  30 100.649   0.556   0.877
  187   2HB   PRO  30          2HB       PRO  30  99.161   0.724   1.822
  188   1HG   PRO  30          1HG       PRO  30 101.480   0.071   2.996
  189   2HG   PRO  30          2HG       PRO  30  99.939  -0.624   3.538
  190   1HD   PRO  30          1HD       PRO  30 102.184  -1.915   2.140
  191   2HD   PRO  30          2HD       PRO  30 100.846  -2.655   3.047
  192    HA   PRO  31           HA       PRO  31  97.390  -1.088  -3.033
  193   1HB   PRO  31          1HB       PRO  31  96.561   1.684  -2.255
  194   2HB   PRO  31          2HB       PRO  31  95.702   0.489  -3.240
  195   1HG   PRO  31          1HG       PRO  31  95.045   0.884  -0.682
  196   2HG   PRO  31          2HG       PRO  31  95.023  -0.738  -1.397
  197   1HD   PRO  31          1HD       PRO  31  96.919   0.441   0.546
  198   2HD   PRO  31          2HD       PRO  31  96.490  -1.259   0.275
  199    H    GLY  32           H        GLY  32  99.223  -0.997  -4.259
  200   1HA   GLY  32          1HA       GLY  32 100.336   0.385  -5.896
  201   2HA   GLY  32          2HA       GLY  32 100.340   1.691  -4.727
  202    H    VAL  33           H        VAL  33 101.369  -1.703  -4.310
  203    HA   VAL  33           HA       VAL  33 104.126  -0.755  -3.935
  204    HB   VAL  33           HB       VAL  33 103.037  -2.879  -2.182
  205   1HG1  VAL  33          1HG1      VAL  33 105.358  -2.827  -2.255
  206   2HG1  VAL  33          2HG1      VAL  33 104.943  -1.918  -0.805
  207   3HG1  VAL  33          3HG1      VAL  33 105.409  -1.067  -2.271
  208   1HG2  VAL  33          1HG2      VAL  33 101.893  -1.424  -0.940
  209   2HG2  VAL  33          2HG2      VAL  33 102.238  -0.143  -2.099
  210   3HG2  VAL  33          3HG2      VAL  33 103.335  -0.437  -0.753
  211    H    ASP  34           H        ASP  34 105.602  -1.811  -4.925
  212    HA   ASP  34           HA       ASP  34 105.255  -4.613  -5.642
  213   1HB   ASP  34          1HB       ASP  34 104.578  -2.804  -7.517
  214   2HB   ASP  34          2HB       ASP  34 106.315  -2.883  -7.813
  215    H    ARG  35           H        ARG  35 107.216  -5.711  -5.984
  216    HA   ARG  35           HA       ARG  35 109.388  -4.907  -4.458
  217   1HB   ARG  35          1HB       ARG  35 108.746  -7.096  -6.232
  218   2HB   ARG  35          2HB       ARG  35 110.432  -6.635  -6.403
  219   1HG   ARG  35          1HG       ARG  35 110.435  -8.283  -4.754
  220   2HG   ARG  35          2HG       ARG  35 110.555  -6.762  -3.860
  221   1HD   ARG  35          1HD       ARG  35 108.703  -7.241  -2.736
  222   2HD   ARG  35          2HD       ARG  35 107.795  -7.415  -4.236
  223    HE   ARG  35           HE       ARG  35 108.862  -9.522  -2.586
  224   1HH1  ARG  35          1HH1      ARG  35 107.744  -8.672  -5.781
  225   2HH1  ARG  35          2HH1      ARG  35 107.368 -10.304  -6.217
  226   1HH2  ARG  35          1HH2      ARG  35 108.368 -11.666  -3.161
  227   2HH2  ARG  35          2HH2      ARG  35 107.721 -12.003  -4.731
  228    H    MET  36           H        MET  36 108.537  -3.943  -7.645
  229    HA   MET  36           HA       MET  36 110.967  -3.411  -8.837
  230   1HB   MET  36          1HB       MET  36 108.421  -3.031  -9.565
  231   2HB   MET  36          2HB       MET  36 108.837  -1.373  -9.160
  232   1HG   MET  36          1HG       MET  36 110.290  -1.159 -10.891
  233   2HG   MET  36          2HG       MET  36 110.711  -2.875 -10.892
  234   1HE   MET  36          1HE       MET  36 109.483  -3.631 -14.115
  235   2HE   MET  36          2HE       MET  36 110.837  -3.178 -13.079
  236   3HE   MET  36          3HE       MET  36 110.074  -1.970 -14.111
  237    H    ARG  37           H        ARG  37 109.181  -1.382  -6.524
  238    HA   ARG  37           HA       ARG  37 111.662  -0.008  -5.885
  239   1HB   ARG  37          1HB       ARG  37 110.210   2.206  -5.969
  240   2HB   ARG  37          2HB       ARG  37 111.098   1.631  -7.369
  241   1HG   ARG  37          1HG       ARG  37 108.473   0.460  -7.309
  242   2HG   ARG  37          2HG       ARG  37 108.372   2.218  -7.194
  243   1HD   ARG  37          1HD       ARG  37 110.172   2.058  -9.142
  244   2HD   ARG  37          2HD       ARG  37 109.376   0.507  -9.402
  245    HE   ARG  37           HE       ARG  37 108.352   3.070 -10.057
  246   1HH1  ARG  37          1HH1      ARG  37 107.376  -0.077  -8.909
  247   2HH1  ARG  37          2HH1      ARG  37 105.769   0.053  -9.538
  248   1HH2  ARG  37          1HH2      ARG  37 106.237   3.245 -10.884
  249   2HH2  ARG  37          2HH2      ARG  37 105.121   1.939 -10.658
  250    H    LEU  38           H        LEU  38 111.013  -1.494  -4.046
  251    HA   LEU  38           HA       LEU  38 108.852  -0.647  -2.383
  252   1HB   LEU  38          1HB       LEU  38 110.990  -2.712  -2.247
  253   2HB   LEU  38          2HB       LEU  38 110.146  -2.269  -0.766
  254    HG   LEU  38           HG       LEU  38 108.666  -3.068  -3.263
  255   1HD1  LEU  38          1HD1      LEU  38 110.301  -4.840  -2.378
  256   2HD1  LEU  38          2HD1      LEU  38 108.612  -5.299  -2.597
  257   3HD1  LEU  38          3HD1      LEU  38 109.225  -4.934  -0.984
  258   1HD2  LEU  38          1HD2      LEU  38 107.363  -1.883  -1.687
  259   2HD2  LEU  38          2HD2      LEU  38 107.968  -2.865  -0.354
  260   3HD2  LEU  38          3HD2      LEU  38 106.932  -3.589  -1.582
  261    H    GLU  39           H        GLU  39 112.402  -0.356  -2.211
  262    HA   GLU  39           HA       GLU  39 112.365   1.079   0.230
  263   1HB   GLU  39          1HB       GLU  39 114.719   1.590  -0.252
  264   2HB   GLU  39          2HB       GLU  39 114.358  -0.118  -0.432
  265   1HG   GLU  39          1HG       GLU  39 115.745   0.419  -2.223
  266   2HG   GLU  39          2HG       GLU  39 114.123   0.331  -2.906
  267    H    ARG  40           H        ARG  40 110.850   2.003  -2.350
  268    HA   ARG  40           HA       ARG  40 111.714   4.812  -2.196
  269   1HB   ARG  40          1HB       ARG  40 111.564   3.205  -4.436
  270   2HB   ARG  40          2HB       ARG  40 110.038   4.074  -4.478
  271   1HG   ARG  40          1HG       ARG  40 111.786   6.088  -3.953
  272   2HG   ARG  40          2HG       ARG  40 112.765   5.021  -4.963
  273   1HD   ARG  40          1HD       ARG  40 111.137   5.088  -6.719
  274   2HD   ARG  40          2HD       ARG  40 109.995   5.957  -5.695
  275    HE   ARG  40           HE       ARG  40 112.213   7.063  -7.154
  276   1HH1  ARG  40          1HH1      ARG  40 110.059   7.511  -4.446
  277   2HH1  ARG  40          2HH1      ARG  40 110.262   9.230  -4.408
  278   1HH2  ARG  40          1HH2      ARG  40 112.483   9.324  -7.105
  279   2HH2  ARG  40          2HH2      ARG  40 111.639  10.260  -5.918
  280    H    HIS  41           H        HIS  41 109.383   2.558  -1.439
  281    HA   HIS  41           HA       HIS  41 107.100   4.338  -1.546
  282   1HB   HIS  41          1HB       HIS  41 107.544   1.450  -0.843
  283   2HB   HIS  41          2HB       HIS  41 106.036   2.254  -0.436
  284    HD1  HIS  41           HD1      HIS  41 105.315   3.770  -2.890
  285    HD2  HIS  41           HD2      HIS  41 107.055   0.000  -3.052
  286    HE1  HIS  41           HE1      HIS  41 104.713   2.846  -5.151
  287    HE2  HIS  41           HE2      HIS  41 105.871   0.613  -5.268
  288    H    LEU  42           H        LEU  42 109.651   3.774   0.533
  289    HA   LEU  42           HA       LEU  42 108.224   4.042   3.015
  290   1HB   LEU  42          1HB       LEU  42 111.164   4.098   2.340
  291   2HB   LEU  42          2HB       LEU  42 110.515   4.135   3.973
  292    HG   LEU  42           HG       LEU  42 109.480   1.894   2.435
  293   1HD1  LEU  42          1HD1      LEU  42 112.057   2.423   1.752
  294   2HD1  LEU  42          2HD1      LEU  42 111.311   0.823   1.751
  295   3HD1  LEU  42          3HD1      LEU  42 112.264   1.349   3.142
  296   1HD2  LEU  42          1HD2      LEU  42 110.021   0.703   4.429
  297   2HD2  LEU  42          2HD2      LEU  42 109.331   2.263   4.875
  298   3HD2  LEU  42          3HD2      LEU  42 111.073   2.010   4.976
  299    H    SER  43           H        SER  43 108.199   5.820   4.343
  300    HA   SER  43           HA       SER  43 108.390   8.368   3.040
  301   1HB   SER  43          1HB       SER  43 108.001   8.943   5.701
  302   2HB   SER  43          2HB       SER  43 106.713   8.634   4.532
  303    HG   SER  43           HG       SER  43 107.939   6.739   6.256
  304    H    ALA  44           H        ALA  44 109.590  10.195   3.986
  305    HA   ALA  44           HA       ALA  44 112.303   9.819   4.017
  306   1HB   ALA  44          1HB       ALA  44 110.516  11.979   4.942
  307   2HB   ALA  44          2HB       ALA  44 111.880  12.033   3.825
  308   3HB   ALA  44          3HB       ALA  44 112.166  12.011   5.565
  309    H    GLU  45           H        GLU  45 110.063   9.424   6.646
  310    HA   GLU  45           HA       GLU  45 112.084   9.259   8.681
  311   1HB   GLU  45          1HB       GLU  45 109.963   8.007   9.817
  312   2HB   GLU  45          2HB       GLU  45 110.187   9.749   9.816
  313   1HG   GLU  45          1HG       GLU  45 108.609  10.074   8.140
  314   2HG   GLU  45          2HG       GLU  45 108.681   8.394   7.615
  315    H    ASP  46           H        ASP  46 109.807   6.842   7.383
  316    HA   ASP  46           HA       ASP  46 110.924   4.569   8.430
  317   1HB   ASP  46          1HB       ASP  46 109.558   5.012   5.776
  318   2HB   ASP  46          2HB       ASP  46 110.007   3.408   6.364
  319    H    PHE  47           H        PHE  47 111.841   6.230   5.426
  320    HA   PHE  47           HA       PHE  47 113.744   4.367   4.569
  321   1HB   PHE  47          1HB       PHE  47 112.682   6.427   3.365
  322   2HB   PHE  47          2HB       PHE  47 114.058   7.299   4.045
  323    HD1  PHE  47           HD1      PHE  47 113.276   4.209   2.144
  324    HD2  PHE  47           HD2      PHE  47 116.008   7.389   2.846
  325    HE1  PHE  47           HE1      PHE  47 114.701   3.396   0.297
  326    HE2  PHE  47           HE2      PHE  47 117.433   6.589   1.004
  327    HZ   PHE  47           HZ       PHE  47 116.773   4.592  -0.276
  328    H    SER  48           H        SER  48 114.249   7.458   6.276
  329    HA   SER  48           HA       SER  48 117.014   7.130   6.609
  330   1HB   SER  48          1HB       SER  48 115.725   9.285   6.819
  331   2HB   SER  48          2HB       SER  48 115.197   8.739   8.411
  332    HG   SER  48           HG       SER  48 117.544   9.851   7.678
  333    H    ARG  49           H        ARG  49 114.461   5.524   8.187
  334    HA   ARG  49           HA       ARG  49 115.989   5.047  10.623
  335   1HB   ARG  49          1HB       ARG  49 113.307   3.912   9.821
  336   2HB   ARG  49          2HB       ARG  49 114.034   3.859  11.420
  337   1HG   ARG  49          1HG       ARG  49 113.896   6.568  10.539
  338   2HG   ARG  49          2HG       ARG  49 112.317   5.805  10.350
  339   1HD   ARG  49          1HD       ARG  49 112.115   6.447  12.519
  340   2HD   ARG  49          2HD       ARG  49 112.908   4.891  12.778
  341    HE   ARG  49           HE       ARG  49 114.791   5.996  13.492
  342   1HH1  ARG  49          1HH1      ARG  49 112.620   8.280  11.988
  343   2HH1  ARG  49          2HH1      ARG  49 113.516   9.665  12.512
  344   1HH2  ARG  49          1HH2      ARG  49 115.967   7.818  14.183
  345   2HH2  ARG  49          2HH2      ARG  49 115.416   9.404  13.757
  346    H    VAL  50           H        VAL  50 114.804   3.301   7.802
  347    HA   VAL  50           HA       VAL  50 115.973   0.808   8.689
  348    HB   VAL  50           HB       VAL  50 114.900   1.317   5.928
  349   1HG1  VAL  50          1HG1      VAL  50 114.646  -1.190   7.539
  350   2HG1  VAL  50          2HG1      VAL  50 116.144  -0.817   6.686
  351   3HG1  VAL  50          3HG1      VAL  50 114.634  -0.977   5.789
  352   1HG2  VAL  50          1HG2      VAL  50 113.381   1.917   8.064
  353   2HG2  VAL  50          2HG2      VAL  50 113.074   0.185   7.947
  354   3HG2  VAL  50          3HG2      VAL  50 112.739   1.233   6.569
  355    H    PHE  51           H        PHE  51 116.712   3.308   6.296
  356    HA   PHE  51           HA       PHE  51 119.119   1.797   5.548
  357   1HB   PHE  51          1HB       PHE  51 117.755   4.107   4.155
  358   2HB   PHE  51          2HB       PHE  51 119.227   3.315   3.594
  359    HD1  PHE  51           HD1      PHE  51 115.881   3.535   3.008
  360    HD2  PHE  51           HD2      PHE  51 118.886   0.587   3.580
  361    HE1  PHE  51           HE1      PHE  51 114.525   1.918   1.728
  362    HE2  PHE  51           HE2      PHE  51 117.538  -1.036   2.305
  363    HZ   PHE  51           HZ       PHE  51 115.364  -0.364   1.378
  364    H    ALA  52           H        ALA  52 118.048   4.872   6.874
  365    HA   ALA  52           HA       ALA  52 119.200   6.419   8.124
  366   1HB   ALA  52          1HB       ALA  52 121.764   4.953   7.664
  367   2HB   ALA  52          2HB       ALA  52 120.563   4.342   8.803
  368   3HB   ALA  52          3HB       ALA  52 121.280   5.936   9.046
  369    H    MET  53           H        MET  53 119.153   6.125   5.061
  370    HA   MET  53           HA       MET  53 120.991   8.350   4.520
  371   1HB   MET  53          1HB       MET  53 120.954   7.041   2.133
  372   2HB   MET  53          2HB       MET  53 122.244   6.932   3.326
  373   1HG   MET  53          1HG       MET  53 121.672   4.834   3.968
  374   2HG   MET  53          2HG       MET  53 119.956   5.078   3.633
  375   1HE   MET  53          1HE       MET  53 119.136   5.568   1.238
  376   2HE   MET  53          2HE       MET  53 119.789   4.791  -0.202
  377   3HE   MET  53          3HE       MET  53 120.519   6.274   0.398
  378    H    SER  54           H        SER  54 120.431   9.555   2.583
  379    HA   SER  54           HA       SER  54 117.687  10.268   2.634
  380   1HB   SER  54          1HB       SER  54 120.046  11.108   0.959
  381   2HB   SER  54          2HB       SER  54 118.426  11.758   0.673
  382    HG   SER  54           HG       SER  54 118.502  12.281   3.022
  383    HA   PRO  55           HA       PRO  55 115.859   7.590  -0.407
  384   1HB   PRO  55          1HB       PRO  55 114.532  10.101  -1.324
  385   2HB   PRO  55          2HB       PRO  55 113.815   8.535  -0.925
  386   1HG   PRO  55          1HG       PRO  55 113.620  10.601   0.754
  387   2HG   PRO  55          2HG       PRO  55 113.854   8.946   1.355
  388   1HD   PRO  55          1HD       PRO  55 115.798  11.197   1.191
  389   2HD   PRO  55          2HD       PRO  55 115.683   9.884   2.383
  390    H    GLU  56           H        GLU  56 117.310  10.673  -1.155
  391    HA   GLU  56           HA       GLU  56 117.620  10.127  -3.967
  392   1HB   GLU  56          1HB       GLU  56 117.434  12.415  -3.536
  393   2HB   GLU  56          2HB       GLU  56 118.451  12.328  -2.101
  394   1HG   GLU  56          1HG       GLU  56 120.338  12.651  -3.261
  395   2HG   GLU  56          2HG       GLU  56 119.808  11.640  -4.609
  396    H    GLU  57           H        GLU  57 119.470   9.812  -1.013
  397    HA   GLU  57           HA       GLU  57 122.023   9.452  -2.058
  398   1HB   GLU  57          1HB       GLU  57 120.674   8.792   0.496
  399   2HB   GLU  57          2HB       GLU  57 122.014   7.731   0.080
  400   1HG   GLU  57          1HG       GLU  57 123.410   9.785  -0.261
  401   2HG   GLU  57          2HG       GLU  57 122.075  10.710   0.423
  402    H    PHE  58           H        PHE  58 119.569   6.960  -1.311
  403    HA   PHE  58           HA       PHE  58 120.821   4.657  -2.088
  404   1HB   PHE  58          1HB       PHE  58 118.263   5.314  -1.445
  405   2HB   PHE  58          2HB       PHE  58 118.068   4.994  -3.166
  406    HD1  PHE  58           HD1      PHE  58 118.749   2.731  -4.051
  407    HD2  PHE  58           HD2      PHE  58 118.407   3.566   0.108
  408    HE1  PHE  58           HE1      PHE  58 118.571   0.322  -3.581
  409    HE2  PHE  58           HE2      PHE  58 118.241   1.164   0.584
  410    HZ   PHE  58           HZ       PHE  58 118.321  -0.468  -1.259
  411    H    GLY  59           H        GLY  59 118.767   6.523  -4.349
  412   1HA   GLY  59          1HA       GLY  59 119.486   5.192  -6.669
  413   2HA   GLY  59          2HA       GLY  59 118.946   6.864  -6.613
  414    H    LYS  60           H        LYS  60 121.324   7.498  -4.850
  415    HA   LYS  60           HA       LYS  60 123.208   7.863  -7.056
  416   1HB   LYS  60          1HB       LYS  60 123.051   9.186  -4.342
  417   2HB   LYS  60          2HB       LYS  60 124.264   9.548  -5.569
  418   1HG   LYS  60          1HG       LYS  60 121.530   9.728  -6.564
  419   2HG   LYS  60          2HG       LYS  60 121.873  10.844  -5.237
  420   1HD   LYS  60          1HD       LYS  60 124.009  10.734  -7.221
  421   2HD   LYS  60          2HD       LYS  60 122.465  11.256  -7.898
  422   1HE   LYS  60          1HE       LYS  60 123.937  13.098  -7.026
  423   2HE   LYS  60          2HE       LYS  60 122.302  13.060  -6.367
  424   1HZ   LYS  60          1HZ       LYS  60 124.373  11.616  -4.900
  425   2HZ   LYS  60          2HZ       LYS  60 123.040  12.480  -4.320
  426   3HZ   LYS  60          3HZ       LYS  60 124.421  13.306  -4.840
  427    H    LEU  61           H        LEU  61 122.762   5.607  -4.718
  428    HA   LEU  61           HA       LEU  61 125.452   5.388  -3.772
  429   1HB   LEU  61          1HB       LEU  61 122.986   3.662  -3.499
  430   2HB   LEU  61          2HB       LEU  61 124.513   3.278  -2.738
  431    HG   LEU  61           HG       LEU  61 122.684   5.557  -2.128
  432   1HD1  LEU  61          1HD1      LEU  61 122.014   3.903  -0.768
  433   2HD1  LEU  61          2HD1      LEU  61 123.359   4.492   0.209
  434   3HD1  LEU  61          3HD1      LEU  61 123.569   3.075  -0.820
  435   1HD2  LEU  61          1HD2      LEU  61 124.441   6.288  -0.503
  436   2HD2  LEU  61          2HD2      LEU  61 124.840   6.577  -2.196
  437   3HD2  LEU  61          3HD2      LEU  61 125.568   5.219  -1.338
  438    H    ALA  62           H        ALA  62 125.268   2.396  -3.992
  439    HA   ALA  62           HA       ALA  62 125.946   2.101  -6.835
  440   1HB   ALA  62          1HB       ALA  62 127.422   0.705  -4.627
  441   2HB   ALA  62          2HB       ALA  62 127.943   2.246  -5.303
  442   3HB   ALA  62          3HB       ALA  62 127.862   0.814  -6.330
  443    H    LEU  63           H        LEU  63 125.970  -0.186  -7.572
  444    HA   LEU  63           HA       LEU  63 123.517  -1.440  -7.063
  445   1HB   LEU  63          1HB       LEU  63 125.024  -1.625  -9.104
  446   2HB   LEU  63          2HB       LEU  63 125.935  -2.819  -8.199
  447    HG   LEU  63           HG       LEU  63 123.161  -3.510  -8.103
  448   1HD1  LEU  63          1HD1      LEU  63 122.936  -4.025 -10.563
  449   2HD1  LEU  63          2HD1      LEU  63 124.250  -2.880 -10.830
  450   3HD1  LEU  63          3HD1      LEU  63 122.739  -2.335 -10.101
  451   1HD2  LEU  63          1HD2      LEU  63 125.470  -4.819  -8.043
  452   2HD2  LEU  63          2HD2      LEU  63 125.099  -5.022  -9.756
  453   3HD2  LEU  63          3HD2      LEU  63 123.961  -5.591  -8.534
  454    H    TRP  64           H        TRP  64 126.656  -1.890  -5.576
  455    HA   TRP  64           HA       TRP  64 125.869  -4.328  -4.259
  456   1HB   TRP  64          1HB       TRP  64 128.108  -3.983  -3.131
  457   2HB   TRP  64          2HB       TRP  64 128.171  -4.133  -4.892
  458    HD1  TRP  64           HD1      TRP  64 129.102  -2.071  -6.220
  459    HE1  TRP  64           HE1      TRP  64 130.053   0.207  -5.515
  460    HE3  TRP  64           HE3      TRP  64 127.692  -2.176  -1.439
  461    HZ2  TRP  64           HZ2      TRP  64 130.179   1.760  -3.103
  462    HZ3  TRP  64           HZ3      TRP  64 128.261  -0.262   0.044
  463    HH2  TRP  64           HH2      TRP  64 129.463   1.659  -0.785
  464    H    LYS  65           H        LYS  65 126.119  -0.921  -3.721
  465    HA   LYS  65           HA       LYS  65 125.670  -0.939  -0.903
  466   1HB   LYS  65          1HB       LYS  65 126.352   0.994  -2.709
  467   2HB   LYS  65          2HB       LYS  65 124.652   1.371  -2.446
  468   1HG   LYS  65          1HG       LYS  65 126.911   1.408  -0.476
  469   2HG   LYS  65          2HG       LYS  65 125.795   2.702  -0.914
  470   1HD   LYS  65          1HD       LYS  65 124.655   2.154   0.925
  471   2HD   LYS  65          2HD       LYS  65 124.136   0.711   0.050
  472   1HE   LYS  65          1HE       LYS  65 124.990  -0.159   2.023
  473   2HE   LYS  65          2HE       LYS  65 126.347  -0.320   0.899
  474   1HZ   LYS  65          1HZ       LYS  65 126.871   2.067   1.881
  475   2HZ   LYS  65          2HZ       LYS  65 127.420   0.649   2.621
  476   3HZ   LYS  65          3HZ       LYS  65 126.042   1.432   3.213
  477    H    ARG  66           H        ARG  66 123.513   0.029  -3.575
  478    HA   ARG  66           HA       ARG  66 121.107   0.172  -2.314
  479   1HB   ARG  66          1HB       ARG  66 121.580  -1.123  -5.005
  480   2HB   ARG  66          2HB       ARG  66 120.055  -0.465  -4.437
  481   1HG   ARG  66          1HG       ARG  66 121.534   1.717  -4.160
  482   2HG   ARG  66          2HG       ARG  66 122.472   0.921  -5.426
  483   1HD   ARG  66          1HD       ARG  66 119.904   0.609  -6.319
  484   2HD   ARG  66          2HD       ARG  66 119.848   2.202  -5.552
  485    HE   ARG  66           HE       ARG  66 122.094   1.836  -7.311
  486   1HH1  ARG  66          1HH1      ARG  66 118.736   2.770  -7.112
  487   2HH1  ARG  66          2HH1      ARG  66 118.789   3.729  -8.552
  488   1HH2  ARG  66          1HH2      ARG  66 122.164   3.098  -9.206
  489   2HH2  ARG  66          2HH2      ARG  66 120.734   3.915  -9.741
  490    H    ASN  67           H        ASN  67 122.709  -2.734  -3.503
  491    HA   ASN  67           HA       ASN  67 120.686  -4.578  -2.855
  492   1HB   ASN  67          1HB       ASN  67 123.582  -4.704  -3.467
  493   2HB   ASN  67          2HB       ASN  67 122.930  -6.075  -2.570
  494   1HD2  ASN  67          1HD2      ASN  67 122.075  -4.025  -5.342
  495   2HD2  ASN  67          2HD2      ASN  67 121.533  -5.320  -6.349
  496    H    GLU  68           H        GLU  68 123.742  -4.153  -1.084
  497    HA   GLU  68           HA       GLU  68 123.207  -5.520   1.188
  498   1HB   GLU  68          1HB       GLU  68 124.900  -3.174   0.559
  499   2HB   GLU  68          2HB       GLU  68 124.603  -3.486   2.264
  500   1HG   GLU  68          1HG       GLU  68 126.024  -5.188   2.294
  501   2HG   GLU  68          2HG       GLU  68 125.315  -5.903   0.847
  502    H    LEU  69           H        LEU  69 122.159  -2.210   0.466
  503    HA   LEU  69           HA       LEU  69 121.104  -1.642   3.015
  504   1HB   LEU  69          1HB       LEU  69 120.024  -0.587   0.415
  505   2HB   LEU  69          2HB       LEU  69 119.933   0.160   1.998
  506    HG   LEU  69           HG       LEU  69 122.594  -0.358   0.845
  507   1HD1  LEU  69          1HD1      LEU  69 122.457   1.129  -0.806
  508   2HD1  LEU  69          2HD1      LEU  69 121.556   2.266   0.195
  509   3HD1  LEU  69          3HD1      LEU  69 120.712   0.968  -0.639
  510   1HD2  LEU  69          1HD2      LEU  69 122.995   1.859   2.008
  511   2HD2  LEU  69          2HD2      LEU  69 122.626   0.479   3.044
  512   3HD2  LEU  69          3HD2      LEU  69 121.377   1.672   2.686
  513    H    LYS  70           H        LYS  70 119.362  -2.456   0.045
  514    HA   LYS  70           HA       LYS  70 116.881  -3.018   1.242
  515   1HB   LYS  70          1HB       LYS  70 118.199  -3.726  -1.338
  516   2HB   LYS  70          2HB       LYS  70 116.754  -4.615  -0.883
  517   1HG   LYS  70          1HG       LYS  70 115.405  -2.727  -0.975
  518   2HG   LYS  70          2HG       LYS  70 116.780  -1.625  -0.846
  519   1HD   LYS  70          1HD       LYS  70 116.193  -1.465  -3.089
  520   2HD   LYS  70          2HD       LYS  70 117.505  -2.644  -3.111
  521   1HE   LYS  70          1HE       LYS  70 114.825  -3.784  -2.731
  522   2HE   LYS  70          2HE       LYS  70 115.079  -2.997  -4.288
  523   1HZ   LYS  70          1HZ       LYS  70 115.715  -5.217  -4.585
  524   2HZ   LYS  70          2HZ       LYS  70 116.576  -5.271  -3.130
  525   3HZ   LYS  70          3HZ       LYS  70 117.174  -4.373  -4.432
  526    H    LYS  71           H        LYS  71 119.826  -4.779   1.125
  527    HA   LYS  71           HA       LYS  71 118.649  -7.334   1.762
  528   1HB   LYS  71          1HB       LYS  71 121.455  -6.309   1.357
  529   2HB   LYS  71          2HB       LYS  71 121.161  -7.923   2.016
  530   1HG   LYS  71          1HG       LYS  71 119.962  -8.562   0.035
  531   2HG   LYS  71          2HG       LYS  71 120.063  -6.918  -0.598
  532   1HD   LYS  71          1HD       LYS  71 121.956  -7.507  -1.615
  533   2HD   LYS  71          2HD       LYS  71 122.701  -7.658  -0.022
  534   1HE   LYS  71          1HE       LYS  71 121.108  -9.906  -1.204
  535   2HE   LYS  71          2HE       LYS  71 122.798  -9.665  -1.644
  536   1HZ   LYS  71          1HZ       LYS  71 122.755 -11.183   0.145
  537   2HZ   LYS  71          2HZ       LYS  71 121.696 -10.223   1.050
  538   3HZ   LYS  71          3HZ       LYS  71 123.289  -9.714   0.795
  539    H    LYS  72           H        LYS  72 120.098  -4.663   3.463
  540    HA   LYS  72           HA       LYS  72 120.188  -6.180   5.948
  541   1HB   LYS  72          1HB       LYS  72 121.474  -4.406   6.870
  542   2HB   LYS  72          2HB       LYS  72 122.101  -4.677   5.250
  543   1HG   LYS  72          1HG       LYS  72 121.820  -2.525   4.819
  544   2HG   LYS  72          2HG       LYS  72 120.075  -2.741   5.001
  545   1HD   LYS  72          1HD       LYS  72 121.760  -2.411   7.442
  546   2HD   LYS  72          2HD       LYS  72 121.378  -0.991   6.466
  547   1HE   LYS  72          1HE       LYS  72 119.522  -0.896   7.724
  548   2HE   LYS  72          2HE       LYS  72 118.940  -2.177   6.663
  549   1HZ   LYS  72          1HZ       LYS  72 120.333  -2.620   9.248
  550   2HZ   LYS  72          2HZ       LYS  72 119.671  -3.813   8.250
  551   3HZ   LYS  72          3HZ       LYS  72 118.657  -2.702   9.025
  552    H    ALA  73           H        ALA  73 118.360  -3.852   4.243
  553    HA   ALA  73           HA       ALA  73 116.915  -2.796   6.487
  554   1HB   ALA  73          1HB       ALA  73 116.964  -2.420   3.561
  555   2HB   ALA  73          2HB       ALA  73 116.899  -1.224   4.855
  556   3HB   ALA  73          3HB       ALA  73 115.434  -2.077   4.366
  557    H    GLU  74           H        GLU  74 116.862  -5.780   5.146
  558    HA   GLU  74           HA       GLU  74 115.407  -7.520   5.306
  559   1HB   GLU  74          1HB       GLU  74 113.384  -5.676   6.561
  560   2HB   GLU  74          2HB       GLU  74 113.544  -7.414   6.763
  561   1HG   GLU  74          1HG       GLU  74 115.761  -5.630   7.644
  562   2HG   GLU  74          2HG       GLU  74 114.317  -5.787   8.641
  563    H    LEU  75           H        LEU  75 115.374  -5.362   3.162
  564    HA   LEU  75           HA       LEU  75 112.993  -6.367   1.848
  565   1HB   LEU  75          1HB       LEU  75 112.978  -3.756   0.982
  566   2HB   LEU  75          2HB       LEU  75 111.841  -4.493   2.101
  567    HG   LEU  75           HG       LEU  75 113.970  -3.683   3.679
  568   1HD1  LEU  75          1HD1      LEU  75 113.921  -1.176   3.022
  569   2HD1  LEU  75          2HD1      LEU  75 113.510  -1.786   1.415
  570   3HD1  LEU  75          3HD1      LEU  75 115.026  -2.266   2.182
  571   1HD2  LEU  75          1HD2      LEU  75 112.149  -1.714   3.993
  572   2HD2  LEU  75          2HD2      LEU  75 111.993  -3.329   4.686
  573   3HD2  LEU  75          3HD2      LEU  75 111.178  -2.936   3.173
  574    H    PHE  76           H        PHE  76 114.870  -7.559   0.908
  575    HA   PHE  76           HA       PHE  76 115.733  -6.122  -1.512
  576   1HB   PHE  76          1HB       PHE  76 117.808  -6.244  -0.533
  577   2HB   PHE  76          2HB       PHE  76 117.409  -7.689   0.397
  578    HD1  PHE  76           HD1      PHE  76 117.686  -9.892  -0.571
  579    HD2  PHE  76           HD2      PHE  76 118.604  -6.387  -2.800
  580    HE1  PHE  76           HE1      PHE  76 118.895 -11.262  -2.220
  581    HE2  PHE  76           HE2      PHE  76 119.814  -7.749  -4.453
  582    HZ   PHE  76           HZ       PHE  76 119.960 -10.190  -4.165